2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid

C16H26N4O7 — CID 18238137

IUPAC2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid
SMILESCC(N)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C16H26N4O7/c1-8(17)15(25)20-7-3-4-11(20)14(24)18-9(2)13(23)19-10(16(26)27)5-6-12(21)22/h8-11H,3-7,17H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)(H,26,27)
InChIKeyVFVNITBFGZZHAH-UHFFFAOYSA-N
MW386.41 g/mol
LogP-1.74
Rot. Bonds9

About 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid

2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid (PubChem CID 18238137) has the molecular formula C16H26N4O7 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid
PubChem CID18238137
Molecular FormulaC16H26N4O7
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid
SMILESCC(N)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C16H26N4O7/c1-8(17)15(25)20-7-3-4-11(20)14(24)18-9(2)13(23)19-10(16(26)27)5-6-12(21)22/h8-11H,3-7,17H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)(H,26,27)
InChIKeyVFVNITBFGZZHAH-UHFFFAOYSA-N
XLogP-1.74
TPSA179.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[1-(2-amino-4-carboxybutanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid
CID 22698183
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
CID 18238455
(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoic acid
CID 175769238
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18238234
4-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 18238235
(4S)-4-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 162368889
5-amino-2-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-5-oxopentanoic acid
CID 18299943
2-[[2-[[1-(2-amino-4-carboxybutanoyl)pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22698283
2-[[1-[2-[(2-amino-3-methylpentanoyl)amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 18293696
5-amino-2-[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-5-oxopentanoic acid
CID 18297005
6-amino-2-[2-[[1-(2-amino-3-carboxypropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]hexanoic acid
CID 18252100
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid
CID 174951004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid?
The IUPAC name of 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid (CID 18238137) is 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid.
What is the SMILES notation for 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid?
The canonical SMILES for 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid is CC(N)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid?
The InChIKey is VFVNITBFGZZHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O7/c1-8(17)15(25)20-7-3-4-11(20)14(24)18-9(2)13(23)19-10(16(26)27)5-6-12(21)22/h8-11H,3-7,17H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)(H,26,27).
What are the key properties of 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid?
2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid has a molecular weight of 386.41 g/mol, XLogP of -1.74, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid is sourced from PubChem (CID 18238137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).