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

C14H18N2O3 — CID 62696206

IUPAC2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
SMILESCC(N)(C(=O)NC(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(15,10-5-3-2-4-6-10)13(19)16-11(12(17)18)9-7-8-9/h2-6,9,11H,7-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVQIGXRUTCPVKMA-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.84
Rot. Bonds5

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

2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid (PubChem CID 62696206) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
PubChem CID62696206
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid
SMILESCC(N)(C(=O)NC(C(=O)O)C1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(15,10-5-3-2-4-6-10)13(19)16-11(12(17)18)9-7-8-9/h2-6,9,11H,7-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVQIGXRUTCPVKMA-UHFFFAOYSA-N
XLogP0.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyclopropylethyl)-2-phenylpropanamide
CID 55078586
2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120592271
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
2-amino-N-hexan-2-yl-2-phenylpropanamide
CID 62489354
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid (CID 62696206) is 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid is CC(N)(C(=O)NC(C(=O)O)C1CC1)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
The InChIKey is VQIGXRUTCPVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(15,10-5-3-2-4-6-10)13(19)16-11(12(17)18)9-7-8-9/h2-6,9,11H,7-8,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid?
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylacetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.84, 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-phenylpropanoyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).