3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide

C14H21N3O2 — CID 56628599

IUPAC3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-4-9(2)12(15)14(19)17(3)11-7-5-6-10(8-11)13(16)18/h5-9,12H,4,15H2,1-3H3,(H2,16,18)/t9-,12-/m0/s1
InChIKeyMAHARJMKRWYZRK-CABZTGNLSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds5

About 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide

3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide (PubChem CID 56628599) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide.

Molecular Properties

Compound Name3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide
PubChem CID56628599
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-4-9(2)12(15)14(19)17(3)11-7-5-6-10(8-11)13(16)18/h5-9,12H,4,15H2,1-3H3,(H2,16,18)/t9-,12-/m0/s1
InChIKeyMAHARJMKRWYZRK-CABZTGNLSA-N
XLogP1.12
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
CID 106935125
(2,6-dichlorophenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
CID 70029834
(2S,3S)-2-amino-N,3-dimethyl-N-(4-nitrophenyl)pentanamide
CID 61148730
3-[methyl(propylsulfonyl)amino]benzamide
CID 91156194
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
CID 70033297
2-methylpropyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969637
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
methyl N-(3-carbamothioylphenyl)-N-methylcarbamate
CID 62969639
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide?
The IUPAC name of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide (CID 56628599) is 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide.
What is the SMILES notation for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide?
The canonical SMILES for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide is CC[C@H](C)[C@H](N)C(=O)N(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide?
The InChIKey is MAHARJMKRWYZRK-CABZTGNLSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-9(2)12(15)14(19)17(3)11-7-5-6-10(8-11)13(16)18/h5-9,12H,4,15H2,1-3H3,(H2,16,18)/t9-,12-/m0/s1.
What are the key properties of 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide?
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide is sourced from PubChem (CID 56628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).