(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid

C14H20N2O3 — CID 103927250

IUPAC(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
SMILESCc1c(N)cccc1C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-8-9(6-5-7-10(8)15)12(17)16-11(13(18)19)14(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyRNGAFVIAHAFJPI-NSHDSACASA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds3

About (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103927250) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103927250
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
SMILESCc1c(N)cccc1C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-8-9(6-5-7-10(8)15)12(17)16-11(13(18)19)14(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyRNGAFVIAHAFJPI-NSHDSACASA-N
XLogP1.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
(2S)-2-[(3-amino-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107824809
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61160435
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 81362000
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
(2R)-2-[(3-chloro-2-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926381
(2R)-2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927182
(2S)-2-[(4-amino-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61161701
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid (CID 103927250) is (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid is Cc1c(N)cccc1C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is RNGAFVIAHAFJPI-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-9(6-5-7-10(8)15)12(17)16-11(13(18)19)14(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).