(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid

C13H15ClN2O5 — CID 107316028

IUPAC(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
SMILESCOC(=O)C(C)NC(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-7(12(19)21-2)15-13(20)16-10(11(17)18)8-5-3-4-6-9(8)14/h3-7,10H,1-2H3,(H,17,18)(H2,15,16,20)/t7?,10-/m1/s1
InChIKeyOHGBSNLXOHUPKZ-OMNKOJBGSA-N
MW314.73 g/mol
LogP1.33
Rot. Bonds5

About (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid (PubChem CID 107316028) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
PubChem CID107316028
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
SMILESCOC(=O)C(C)NC(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-7(12(19)21-2)15-13(20)16-10(11(17)18)8-5-3-4-6-9(8)14/h3-7,10H,1-2H3,(H,17,18)(H2,15,16,20)/t7?,10-/m1/s1
InChIKeyOHGBSNLXOHUPKZ-OMNKOJBGSA-N
XLogP1.33
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-(2-chlorophenyl)-2-(4-methoxybutylcarbamoylamino)acetic acid
CID 107316037
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(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-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid (CID 107316028) is (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid is COC(=O)C(C)NC(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid?
The InChIKey is OHGBSNLXOHUPKZ-OMNKOJBGSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-7(12(19)21-2)15-13(20)16-10(11(17)18)8-5-3-4-6-9(8)14/h3-7,10H,1-2H3,(H,17,18)(H2,15,16,20)/t7?,10-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid has a molecular weight of 314.73 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 107316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).