(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid

C14H20ClN3O3 — CID 107316066

IUPAC(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid
SMILESCN(C)CCN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-17(2)8-9-18(3)14(21)16-12(13(19)20)10-6-4-5-7-11(10)15/h4-7,12H,8-9H2,1-3H3,(H,16,21)(H,19,20)/t12-/m1/s1
InChIKeyMMOYVRXWVVIWLP-GFCCVEGCSA-N
MW313.79 g/mol
LogP1.67
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid (PubChem CID 107316066) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid
PubChem CID107316066
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid
SMILESCN(C)CCN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-17(2)8-9-18(3)14(21)16-12(13(19)20)10-6-4-5-7-11(10)15/h4-7,12H,8-9H2,1-3H3,(H,16,21)(H,19,20)/t12-/m1/s1
InChIKeyMMOYVRXWVVIWLP-GFCCVEGCSA-N
XLogP1.67
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107315962
(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
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid
CID 107316106
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid (CID 107316066) is (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid is CN(C)CCN(C)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is MMOYVRXWVVIWLP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-17(2)8-9-18(3)14(21)16-12(13(19)20)10-6-4-5-7-11(10)15/h4-7,12H,8-9H2,1-3H3,(H,16,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 313.79 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107316066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).