(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid

C10H17N3O4 — CID 106192089

IUPAC(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-3-7(9(15)16)13-10(17)12-6-4-8(14)11-5-6/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1
InChIKeyRQTZNMQVHYIRTJ-COBSHVIPSA-N
MW243.26 g/mol
LogP-0.57
Rot. Bonds5

About (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid

(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 106192089) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID106192089
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-3-7(9(15)16)13-10(17)12-6-4-8(14)11-5-6/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1
InChIKeyRQTZNMQVHYIRTJ-COBSHVIPSA-N
XLogP-0.57
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
CID 106191609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid (CID 106192089) is (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC1CNC(=O)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is RQTZNMQVHYIRTJ-COBSHVIPSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-3-7(9(15)16)13-10(17)12-6-4-8(14)11-5-6/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid?
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.57, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 106192089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).