1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid

C11H18N2O5 — CID 168690337

IUPAC1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNCCCCC(C(=O)O)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H18N2O5/c12-4-2-1-3-8(11(17)18)13-6-7(10(15)16)5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
InChIKeyORDMAEVQKUDCJH-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.50
Rot. Bonds7

About 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690337) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690337
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNCCCCC(C(=O)O)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H18N2O5/c12-4-2-1-3-8(11(17)18)13-6-7(10(15)16)5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)
InChIKeyORDMAEVQKUDCJH-UHFFFAOYSA-N
XLogP-0.50
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674969
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
CID 168695905
5-(diaminomethylideneamino)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168692755
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid
CID 168686944
1-[(1S)-1-carboxy-2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690375
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168695935
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
(4S)-4-[(2-aminoacetyl)amino]-5-[(3S)-1-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidin-3-yl]-5-oxopentanoic acid
CID 75204231
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690337) is 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid is NCCCCC(C(=O)O)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ORDMAEVQKUDCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c12-4-2-1-3-8(11(17)18)13-6-7(10(15)16)5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18).
What are the key properties of 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).