2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid

C9H14N2O3 — CID 106190605

IUPAC2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
SMILESO=C1CC(NC(C(=O)O)C2CC2)CN1
InChIInChI=1S/C9H14N2O3/c12-7-3-6(4-10-7)11-8(9(13)14)5-1-2-5/h5-6,8,11H,1-4H2,(H,10,12)(H,13,14)
InChIKeyZKNMGRFVHYGTQU-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.67
Rot. Bonds4

About 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid

2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid (PubChem CID 106190605) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
PubChem CID106190605
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
SMILESO=C1CC(NC(C(=O)O)C2CC2)CN1
InChIInChI=1S/C9H14N2O3/c12-7-3-6(4-10-7)11-8(9(13)14)5-1-2-5/h5-6,8,11H,1-4H2,(H,10,12)(H,13,14)
InChIKeyZKNMGRFVHYGTQU-UHFFFAOYSA-N
XLogP-0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
4-(1-cyclobutylethylamino)pyrrolidin-2-one
CID 130978828
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
2-cyclopropyl-2-[(3-methoxycyclobutyl)amino]acetic acid
CID 106824322
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid (CID 106190605) is 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid is O=C1CC(NC(C(=O)O)C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid?
The InChIKey is ZKNMGRFVHYGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-7-3-6(4-10-7)11-8(9(13)14)5-1-2-5/h5-6,8,11H,1-4H2,(H,10,12)(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid?
2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid has a molecular weight of 198.22 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 106190605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).