2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid

C8H15N3O3 — CID 68516841

IUPAC2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid
SMILESNCC(N)(C(=O)O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C8H15N3O3/c9-4-8(10,7(13)14)6(12)5-2-1-3-11-5/h5,11H,1-4,9-10H2,(H,13,14)/t5-,8?/m0/s1
InChIKeyPOZUMYAWEBOPKP-NTFOPCPOSA-N
MW201.23 g/mol
LogP-1.95
Rot. Bonds4

About 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid

2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid (PubChem CID 68516841) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid
PubChem CID68516841
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid
SMILESNCC(N)(C(=O)O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C8H15N3O3/c9-4-8(10,7(13)14)6(12)5-2-1-3-11-5/h5,11H,1-4,9-10H2,(H,13,14)/t5-,8?/m0/s1
InChIKeyPOZUMYAWEBOPKP-NTFOPCPOSA-N
XLogP-1.95
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[(2R)-pyrrolidine-2-carbonyl]butanoic acid
CID 67691617
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507
(213C)azolidine-2-carboxylic acid
CID 10290769
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
2,2,3,3,3-pentafluoro-1-pyrrolidin-2-ylpropan-1-one
CID 22922470
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
The IUPAC name of 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid (CID 68516841) is 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid is NCC(N)(C(=O)O)C(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
The InChIKey is POZUMYAWEBOPKP-NTFOPCPOSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-4-8(10,7(13)14)6(12)5-2-1-3-11-5/h5,11H,1-4,9-10H2,(H,13,14)/t5-,8?/m0/s1.
What are the key properties of 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid has a molecular weight of 201.23 g/mol, XLogP of -1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(aminomethyl)-3-oxo-3-[(2S)-pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 68516841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).