(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid

C13H17ClN2O3 — CID 107315217

IUPAC(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(C)[C@@H](N)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-7(2)10(15)12(17)16-11(13(18)19)8-5-3-4-6-9(8)14/h3-7,10-11H,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11-/m1/s1
InChIKeyJDAFLTRGBBIGFH-GHMZBOCLSA-N
MW284.74 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315217) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315217
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(C)[C@@H](N)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-7(2)10(15)12(17)16-11(13(18)19)8-5-3-4-6-9(8)14/h3-7,10-11H,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11-/m1/s1
InChIKeyJDAFLTRGBBIGFH-GHMZBOCLSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(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
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315338
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid (CID 107315217) is (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid is CC(C)[C@@H](N)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is JDAFLTRGBBIGFH-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-7(2)10(15)12(17)16-11(13(18)19)8-5-3-4-6-9(8)14/h3-7,10-11H,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 284.74 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).