(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid

C14H19ClN2O4 — CID 107316130

IUPAC(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
SMILESCCN(CCCO)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-2-17(8-5-9-18)14(21)16-12(13(19)20)10-6-3-4-7-11(10)15/h3-4,6-7,12,18H,2,5,8-9H2,1H3,(H,16,21)(H,19,20)/t12-/m1/s1
InChIKeyVNMMRFNWWYLKLI-GFCCVEGCSA-N
MW314.77 g/mol
LogP1.88
Rot. Bonds7

About (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid (PubChem CID 107316130) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
PubChem CID107316130
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
SMILESCCN(CCCO)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-2-17(8-5-9-18)14(21)16-12(13(19)20)10-6-3-4-7-11(10)15/h3-4,6-7,12,18H,2,5,8-9H2,1H3,(H,16,21)(H,19,20)/t12-/m1/s1
InChIKeyVNMMRFNWWYLKLI-GFCCVEGCSA-N
XLogP1.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107315962
3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
CID 115583154
(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315977
(2R)-2-(2-chlorophenyl)-2-[[methyl(prop-2-ynyl)carbamoyl]amino]acetic acid
CID 107316099
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
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-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid (CID 107316130) is (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid is CCN(CCCO)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid?
The InChIKey is VNMMRFNWWYLKLI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-2-17(8-5-9-18)14(21)16-12(13(19)20)10-6-3-4-7-11(10)15/h3-4,6-7,12,18H,2,5,8-9H2,1H3,(H,16,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107316130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).