2-amino-3-(aziridin-2-yl)propanoic acid

C5H10N2O2 — CID 76553046

IUPAC2-amino-3-(aziridin-2-yl)propanoic acid
SMILESNC(CC1CN1)C(=O)O
InChIInChI=1S/C5H10N2O2/c6-4(5(8)9)1-3-2-7-3/h3-4,7H,1-2,6H2,(H,8,9)
InChIKeyHKVRLGJVXIAYOT-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.24
Rot. Bonds3

About 2-amino-3-(aziridin-2-yl)propanoic acid

2-amino-3-(aziridin-2-yl)propanoic acid (PubChem CID 76553046) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-amino-3-(aziridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(aziridin-2-yl)propanoic acid
PubChem CID76553046
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-amino-3-(aziridin-2-yl)propanoic acid
SMILESNC(CC1CN1)C(=O)O
InChIInChI=1S/C5H10N2O2/c6-4(5(8)9)1-3-2-7-3/h3-4,7H,1-2,6H2,(H,8,9)
InChIKeyHKVRLGJVXIAYOT-UHFFFAOYSA-N
XLogP-1.24
TPSA85.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
(2S)-2-amino-3-(4,5-dihydro-1H-imidazol-5-yl)propanoic acid
CID 67425595
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 72707335
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
CID 102103507
2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
CID 101063678
CID 101063678
2-amino-3-(1,4-oxazepan-2-yl)propanoic acid
CID 106491180

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(aziridin-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(aziridin-2-yl)propanoic acid (CID 76553046) is 2-amino-3-(aziridin-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(aziridin-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(aziridin-2-yl)propanoic acid is NC(CC1CN1)C(=O)O.
What is the InChIKey of 2-amino-3-(aziridin-2-yl)propanoic acid?
The InChIKey is HKVRLGJVXIAYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-4(5(8)9)1-3-2-7-3/h3-4,7H,1-2,6H2,(H,8,9).
What are the key properties of 2-amino-3-(aziridin-2-yl)propanoic acid?
2-amino-3-(aziridin-2-yl)propanoic acid has a molecular weight of 130.15 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(aziridin-2-yl)propanoic acid is sourced from PubChem (CID 76553046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).