2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid

C9H16N2O3 — CID 67691617

IUPAC2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid
SMILESCCC(N)(C(=O)O)C(=O)[C@H]1CCCN1
InChIInChI=1S/C9H16N2O3/c1-2-9(10,8(13)14)7(12)6-4-3-5-11-6/h6,11H,2-5,10H2,1H3,(H,13,14)/t6-,9?/m1/s1
InChIKeyKKFKUXVTPUYOCI-VJSCVCEBSA-N
MW200.24 g/mol
LogP-0.50
Rot. Bonds4

About 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid

2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid (PubChem CID 67691617) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid.

Molecular Properties

Compound Name2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid
PubChem CID67691617
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid
SMILESCCC(N)(C(=O)O)C(=O)[C@H]1CCCN1
InChIInChI=1S/C9H16N2O3/c1-2-9(10,8(13)14)7(12)6-4-3-5-11-6/h6,11H,2-5,10H2,1H3,(H,13,14)/t6-,9?/m1/s1
InChIKeyKKFKUXVTPUYOCI-VJSCVCEBSA-N
XLogP-0.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 68516841
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476
2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62819730
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
CID 166686766
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
ethyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 159339373
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid?
The IUPAC name of 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid (CID 67691617) is 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid.
What is the SMILES notation for 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid?
The canonical SMILES for 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid is CCC(N)(C(=O)O)C(=O)[C@H]1CCCN1.
What is the InChIKey of 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid?
The InChIKey is KKFKUXVTPUYOCI-VJSCVCEBSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-9(10,8(13)14)7(12)6-4-3-5-11-6/h6,11H,2-5,10H2,1H3,(H,13,14)/t6-,9?/m1/s1.
What are the key properties of 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid?
2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid is sourced from PubChem (CID 67691617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).