5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid

C14H24N4O5 — CID 71421312

IUPAC5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid
SMILESNCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCCC(=O)O
InChIInChI=1S/C14H24N4O5/c15-8-12(20)18-7-3-4-10(18)14(23)17-9-11(19)16-6-2-1-5-13(21)22/h10H,1-9,15H2,(H,16,19)(H,17,23)(H,21,22)/t10-/m0/s1
InChIKeyYUAPEFJZUCRBRT-JTQLQIEISA-N
MW328.37 g/mol
LogP-1.58
Rot. Bonds9

About 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid

5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid (PubChem CID 71421312) has the molecular formula C14H24N4O5 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid
PubChem CID71421312
Molecular FormulaC14H24N4O5
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC Name5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid
SMILESNCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCCC(=O)O
InChIInChI=1S/C14H24N4O5/c15-8-12(20)18-7-3-4-10(18)14(23)17-9-11(19)16-6-2-1-5-13(21)22/h10H,1-9,15H2,(H,16,19)(H,17,23)(H,21,22)/t10-/m0/s1
InChIKeyYUAPEFJZUCRBRT-JTQLQIEISA-N
XLogP-1.58
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
CID 18490385
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
2-[[1-[2-[2-[3-[[2-[(6-amino-6-oxohexanoyl)amino]acetyl]amino]prop-1-en-2-yl-propan-2-ylamino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 175618358
(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 11714019
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 18490545
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid (CID 71421312) is 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid is NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid?
The InChIKey is YUAPEFJZUCRBRT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4O5/c15-8-12(20)18-7-3-4-10(18)14(23)17-9-11(19)16-6-2-1-5-13(21)22/h10H,1-9,15H2,(H,16,19)(H,17,23)(H,21,22)/t10-/m0/s1.
What are the key properties of 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid?
5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid has a molecular weight of 328.37 g/mol, XLogP of -1.58, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 71421312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).