1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid

C12H14N2O3 — CID 104898019

IUPAC1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)NC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C12H14N2O3/c13-9(8-4-2-1-3-5-8)10(15)14-12(6-7-12)11(16)17/h1-5,9H,6-7,13H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyNXVUPSOAKDQNFY-VIFPVBQESA-N
MW234.26 g/mol
LogP0.42
Rot. Bonds4

About 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid

1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 104898019) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID104898019
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)NC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C12H14N2O3/c13-9(8-4-2-1-3-5-8)10(15)14-12(6-7-12)11(16)17/h1-5,9H,6-7,13H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyNXVUPSOAKDQNFY-VIFPVBQESA-N
XLogP0.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
2-amino-N-(1-methylcyclopropyl)-2-phenylacetamide
CID 115747036
1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61295031
(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
2-[1-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopentyl]acetic acid
CID 64701118
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158771
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433544
1-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436319
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43809184
1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
CID 114929079
4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295
(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid (CID 104898019) is 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid is N[C@H](C(=O)NC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is NXVUPSOAKDQNFY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O3/c13-9(8-4-2-1-3-5-8)10(15)14-12(6-7-12)11(16)17/h1-5,9H,6-7,13H2,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid?
1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 104898019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).