(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid

C14H17ClN2O4 — CID 107316107

IUPAC(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
SMILESCC1OCCC1NC(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-8-11(6-7-21-8)16-14(20)17-12(13(18)19)9-4-2-3-5-10(9)15/h2-5,8,11-12H,6-7H2,1H3,(H,18,19)(H2,16,17,20)/t8?,11?,12-/m1/s1
InChIKeyAROYQSHIGWZDTM-YPXMJKPUSA-N
MW312.75 g/mol
LogP1.94
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid (PubChem CID 107316107) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
PubChem CID107316107
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
SMILESCC1OCCC1NC(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-8-11(6-7-21-8)16-14(20)17-12(13(18)19)9-4-2-3-5-10(9)15/h2-5,8,11-12H,6-7H2,1H3,(H,18,19)(H2,16,17,20)/t8?,11?,12-/m1/s1
InChIKeyAROYQSHIGWZDTM-YPXMJKPUSA-N
XLogP1.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 82728421
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
CID 107316086
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315338
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid (CID 107316107) is (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid is CC1OCCC1NC(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid?
The InChIKey is AROYQSHIGWZDTM-YPXMJKPUSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-8-11(6-7-21-8)16-14(20)17-12(13(18)19)9-4-2-3-5-10(9)15/h2-5,8,11-12H,6-7H2,1H3,(H,18,19)(H2,16,17,20)/t8?,11?,12-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid has a molecular weight of 312.75 g/mol, XLogP of 1.94, 4 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-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 107316107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).