(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid

C16H24N2O3 — CID 119369470

IUPAC(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid
SMILESCCCN(C)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-5-10-18(4)13-8-6-12(7-9-13)15(19)17-14(11(2)3)16(20)21/h6-9,11,14H,5,10H2,1-4H3,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyPHDJWNIASJPBMI-CQSZACIVSA-N
MW292.38 g/mol
LogP2.37
Rot. Bonds7

About (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid

(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid (PubChem CID 119369470) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid
PubChem CID119369470
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid
SMILESCCCN(C)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-5-10-18(4)13-8-6-12(7-9-13)15(19)17-14(11(2)3)16(20)21/h6-9,11,14H,5,10H2,1-4H3,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyPHDJWNIASJPBMI-CQSZACIVSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-[butyl(methyl)amino]benzoyl]amino]-3-methylbutanoic acid
CID 119359449
(2R)-2-[[4-[[ethyl(propyl)amino]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 119368577
(2S)-2-[(4-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 61137378
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide
CID 95286959
3-methyl-2-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119170436
(2S)-2-[[4-(ethylsulfanylmethyl)benzoyl]amino]-3-methylbutanoic acid
CID 119359676
(2S)-2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 42255657
3-methyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 3588676
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119630817
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid (CID 119369470) is (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid is CCCN(C)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1.
What is the InChIKey of (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is PHDJWNIASJPBMI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-10-18(4)13-8-6-12(7-9-13)15(19)17-14(11(2)3)16(20)21/h6-9,11,14H,5,10H2,1-4H3,(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid?
(2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[4-[methyl(propyl)amino]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119369470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).