2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid

C20H32N6O7 — CID 18347853

IUPAC2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)CN)C(=O)O
InChIInChI=1S/C20H32N6O7/c1-11(23-15(27)9-21)19(31)26-8-4-5-13(26)17(29)22-10-16(28)25-7-3-6-14(25)18(30)24-12(2)20(32)33/h11-14H,3-10,21H2,1-2H3,(H,22,29)(H,23,27)(H,24,30)(H,32,33)
InChIKeyOPQOAXDQCJAXOC-UHFFFAOYSA-N
MW468.51 g/mol
LogP-2.86
Rot. Bonds9

About 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid

2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 18347853) has the molecular formula C20H32N6O7 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID18347853
Molecular FormulaC20H32N6O7
Molecular Weight468.51 g/mol
Exact Mass468.23
IUPAC Name2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)CN)C(=O)O
InChIInChI=1S/C20H32N6O7/c1-11(23-15(27)9-21)19(31)26-8-4-5-13(26)17(29)22-10-16(28)25-7-3-6-14(25)18(30)24-12(2)20(32)33/h11-14H,3-10,21H2,1-2H3,(H,22,29)(H,23,27)(H,24,30)(H,32,33)
InChIKeyOPQOAXDQCJAXOC-UHFFFAOYSA-N
XLogP-2.86
TPSA191.24 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

4-[(2-aminoacetyl)amino]-5-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 18487011
2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
CID 18485029
2-[[1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18487785
5-amino-2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
CID 18485031
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 18297138
(2S)-1-[2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 51056037
3-amino-4-[[1-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246786
(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 57227647
2-[[1-[2-[2-[[2-(2-aminopropanoylamino)acetyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18759408
2-[[(2S)-2-[[(2S)-1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 46908953
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
(2S)-2-[[(2R)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 129395985

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid (CID 18347853) is 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid is CC(NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)CN)C(=O)O.
What is the InChIKey of 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is OPQOAXDQCJAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O7/c1-11(23-15(27)9-21)19(31)26-8-4-5-13(26)17(29)22-10-16(28)25-7-3-6-14(25)18(30)24-12(2)20(32)33/h11-14H,3-10,21H2,1-2H3,(H,22,29)(H,23,27)(H,24,30)(H,32,33).
What are the key properties of 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid?
2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 468.51 g/mol, XLogP of -2.86, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 18347853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).