2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid

C13H16N2O3 — CID 62697536

IUPAC2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
SMILESNC(C(=O)NC(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c14-10(8-4-2-1-3-5-8)12(16)15-11(13(17)18)9-6-7-9/h1-5,9-11H,6-7,14H2,(H,15,16)(H,17,18)
InChIKeyIWULRXKJCOIAJZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.67
Rot. Bonds5

About 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid

2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid (PubChem CID 62697536) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
PubChem CID62697536
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
SMILESNC(C(=O)NC(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C13H16N2O3/c14-10(8-4-2-1-3-5-8)12(16)15-11(13(17)18)9-6-7-9/h1-5,9-11H,6-7,14H2,(H,15,16)(H,17,18)
InChIKeyIWULRXKJCOIAJZ-UHFFFAOYSA-N
XLogP0.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
CID 61157194
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylacetamide;hydrochloride
CID 119324224
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
3-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbutanoic acid
CID 104898381
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid (CID 62697536) is 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid is NC(C(=O)NC(C(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid?
The InChIKey is IWULRXKJCOIAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-10(8-4-2-1-3-5-8)12(16)15-11(13(17)18)9-6-7-9/h1-5,9-11H,6-7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid?
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).