(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

C11H17N3O4 — CID 112734945

IUPAC(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESO=C1CC(NC(=O)N[C@@H](CC2CC2)C(=O)O)CN1
InChIInChI=1S/C11H17N3O4/c15-9-4-7(5-12-9)13-11(18)14-8(10(16)17)3-6-1-2-6/h6-8H,1-5H2,(H,12,15)(H,16,17)(H2,13,14,18)/t7?,8-/m0/s1
InChIKeyFCPLURQKQTXNHF-MQWKRIRWSA-N
MW255.27 g/mol
LogP-0.57
Rot. Bonds5

About (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid

(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (PubChem CID 112734945) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
PubChem CID112734945
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
SMILESO=C1CC(NC(=O)N[C@@H](CC2CC2)C(=O)O)CN1
InChIInChI=1S/C11H17N3O4/c15-9-4-7(5-12-9)13-11(18)14-8(10(16)17)3-6-1-2-6/h6-8H,1-5H2,(H,12,15)(H,16,17)(H2,13,14,18)/t7?,8-/m0/s1
InChIKeyFCPLURQKQTXNHF-MQWKRIRWSA-N
XLogP-0.57
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106192144
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
CID 106190605
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid (CID 112734945) is (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is O=C1CC(NC(=O)N[C@@H](CC2CC2)C(=O)O)CN1.
What is the InChIKey of (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
The InChIKey is FCPLURQKQTXNHF-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9-4-7(5-12-9)13-11(18)14-8(10(16)17)3-6-1-2-6/h6-8H,1-5H2,(H,12,15)(H,16,17)(H2,13,14,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid?
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid has a molecular weight of 255.27 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 (2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 112734945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).