(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid

C14H19ClN2O3 — CID 107315962

IUPAC(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9(2)8-17(3)14(20)16-12(13(18)19)10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,20)(H,18,19)/t12-/m1/s1
InChIKeySWBPJPUECVIRKP-GFCCVEGCSA-N
MW298.77 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid (PubChem CID 107315962) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
PubChem CID107315962
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9(2)8-17(3)14(20)16-12(13(18)19)10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,20)(H,18,19)/t12-/m1/s1
InChIKeySWBPJPUECVIRKP-GFCCVEGCSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid
CID 107316066
(2R)-2-(2-chlorophenyl)-2-[[methyl(prop-2-ynyl)carbamoyl]amino]acetic acid
CID 107316099
(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315977
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid (CID 107315962) is (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid is CC(C)CN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is SWBPJPUECVIRKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)8-17(3)14(20)16-12(13(18)19)10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107315962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).