(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid

C14H18N2O3 — CID 61161130

IUPAC(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
SMILESCC(N)(C(=O)N[C@@H](C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-14(15,10-7-8-10)13(19)16-11(12(17)18)9-5-3-2-4-6-9/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t11-,14?/m1/s1
InChIKeySRYVFUGEZGDSOM-YNODCEANSA-N
MW262.31 g/mol
LogP1.06
Rot. Bonds5

About (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid

(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid (PubChem CID 61161130) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
PubChem CID61161130
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
SMILESCC(N)(C(=O)N[C@@H](C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-14(15,10-7-8-10)13(19)16-11(12(17)18)9-5-3-2-4-6-9/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t11-,14?/m1/s1
InChIKeySRYVFUGEZGDSOM-YNODCEANSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315338
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
(2R)-2-[[2-methyl-2-(methylamino)propanoyl]amino]-2-phenylacetic acid
CID 62845633
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
CID 60866617
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 81354638
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
2-amino-2-cyclopropyl-N-[1-(furan-2-yl)ethyl]propanamide
CID 60866793
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid (CID 61161130) is (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid is CC(N)(C(=O)N[C@@H](C(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid?
The InChIKey is SRYVFUGEZGDSOM-YNODCEANSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(15,10-7-8-10)13(19)16-11(12(17)18)9-5-3-2-4-6-9/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t11-,14?/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61161130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).