(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid

C18H18Cl2N2O6 — CID 159886454

IUPAC(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)c1ccccc1Cl.N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO4.C8H8ClNO2/c1-16-10(15)12-8(9(13)14)6-4-2-3-5-7(6)11;9-6-4-2-1-3-5(6)7(10)8(11)12/h2-5,8H,1H3,(H,12,15)(H,13,14);1-4,7H,10H2,(H,11,12)/t8-;7-/m11/s1
InChIKeyNUEULBZVZZCRIV-CPVNYBHJSA-N
MW429.26 g/mol
LogP3.25
Rot. Bonds5

About (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid

(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid (PubChem CID 159886454) has the molecular formula C18H18Cl2N2O6 and a molecular weight of 429.26 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
PubChem CID159886454
Molecular FormulaC18H18Cl2N2O6
Molecular Weight429.26 g/mol
Exact Mass428.05
IUPAC Name(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)N[C@@H](C(=O)O)c1ccccc1Cl.N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO4.C8H8ClNO2/c1-16-10(15)12-8(9(13)14)6-4-2-3-5-7(6)11;9-6-4-2-1-3-5(6)7(10)8(11)12/h2-5,8H,1H3,(H,12,15)(H,13,14);1-4,7H,10H2,(H,11,12)/t8-;7-/m11/s1
InChIKeyNUEULBZVZZCRIV-CPVNYBHJSA-N
XLogP3.25
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

S-methyl (2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)ethanethioate
CID 163621360
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
CID 67681824
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315305
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
CID 107316107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid (CID 159886454) is (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid is COC(=O)N[C@@H](C(=O)O)c1ccccc1Cl.N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid?
The InChIKey is NUEULBZVZZCRIV-CPVNYBHJSA-N. The full InChI is InChI=1S/C10H10ClNO4.C8H8ClNO2/c1-16-10(15)12-8(9(13)14)6-4-2-3-5-7(6)11;9-6-4-2-1-3-5(6)7(10)8(11)12/h2-5,8H,1H3,(H,12,15)(H,13,14);1-4,7H,10H2,(H,11,12)/t8-;7-/m11/s1.
What are the key properties of (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid?
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid has a molecular weight of 429.26 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 159886454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).