(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid

C14H17ClN2O3 — CID 107315338

IUPAC(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(N)(C(=O)N[C@@H](C(=O)O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-14(16,8-6-7-8)13(20)17-11(12(18)19)9-4-2-3-5-10(9)15/h2-5,8,11H,6-7,16H2,1H3,(H,17,20)(H,18,19)/t11-,14?/m1/s1
InChIKeySCKRRQZSNIACHW-YNODCEANSA-N
MW296.75 g/mol
LogP1.71
Rot. Bonds5

About (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315338) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315338
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(N)(C(=O)N[C@@H](C(=O)O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-14(16,8-6-7-8)13(20)17-11(12(18)19)9-4-2-3-5-10(9)15/h2-5,8,11H,6-7,16H2,1H3,(H,17,20)(H,18,19)/t11-,14?/m1/s1
InChIKeySCKRRQZSNIACHW-YNODCEANSA-N
XLogP1.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
CID 107316086
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-(2-methylbut-3-yn-2-ylcarbamoylamino)acetic acid
CID 107316075
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 81354638

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid (CID 107315338) is (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid is CC(N)(C(=O)N[C@@H](C(=O)O)c1ccccc1Cl)C1CC1.
What is the InChIKey of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is SCKRRQZSNIACHW-YNODCEANSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(16,8-6-7-8)13(20)17-11(12(18)19)9-4-2-3-5-10(9)15/h2-5,8,11H,6-7,16H2,1H3,(H,17,20)(H,18,19)/t11-,14?/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 296.75 g/mol, XLogP of 1.71, 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-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).