2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid

C15H25N5O6 — CID 18482361

IUPAC2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid
SMILESCC(NC(=O)C1CCCN1C(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C15H25N5O6/c1-8(13(24)18-7-12(22)23)19-14(25)10-3-2-6-20(10)15(26)9(16)4-5-11(17)21/h8-10H,2-7,16H2,1H3,(H2,17,21)(H,18,24)(H,19,25)(H,22,23)
InChIKeyQDDISIQOVBBIFT-UHFFFAOYSA-N
MW371.39 g/mol
LogP-2.72
Rot. Bonds9

About 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid

2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid (PubChem CID 18482361) has the molecular formula C15H25N5O6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid
PubChem CID18482361
Molecular FormulaC15H25N5O6
Molecular Weight371.39 g/mol
Exact Mass371.18
IUPAC Name2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid
SMILESCC(NC(=O)C1CCCN1C(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C15H25N5O6/c1-8(13(24)18-7-12(22)23)19-14(25)10-3-2-6-20(10)15(26)9(16)4-5-11(17)21/h8-10H,2-7,16H2,1H3,(H2,17,21)(H,18,24)(H,19,25)(H,22,23)
InChIKeyQDDISIQOVBBIFT-UHFFFAOYSA-N
XLogP-2.72
TPSA184.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-(carboxymethylamino)-4-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
CID 18482461
2-[2-[[1-(2-amino-4-carboxybutanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]pentanedioic acid
CID 22698183
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 46244456
5-amino-2-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-5-oxopentanoic acid
CID 18299943
2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 25134557
2-[[3-carboxy-2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 18482433
2-[[1-[4-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18477845
2-[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid
CID 18498222
2-[[2-[2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-3-methylbutanoyl]amino]acetic acid
CID 23290700
4-[[1-[2-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 70441206
4-amino-5-[2-[[4-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
CID 22698224
2-[[5-amino-2-[[1-(2-amino-4-carboxybutanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]butanedioic acid
CID 22698300

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid?
The IUPAC name of 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid (CID 18482361) is 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid?
The canonical SMILES for 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid is CC(NC(=O)C1CCCN1C(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid?
The InChIKey is QDDISIQOVBBIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O6/c1-8(13(24)18-7-12(22)23)19-14(25)10-3-2-6-20(10)15(26)9(16)4-5-11(17)21/h8-10H,2-7,16H2,1H3,(H2,17,21)(H,18,24)(H,19,25)(H,22,23).
What are the key properties of 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid?
2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid has a molecular weight of 371.39 g/mol, XLogP of -2.72, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetic acid is sourced from PubChem (CID 18482361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).