3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide

C13H19N3O2 — CID 103795148

IUPAC3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
SMILESCCC[C@@H](N)C(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-2-4-11(14)13(18)16-8-9-5-3-6-10(7-9)12(15)17/h3,5-7,11H,2,4,8,14H2,1H3,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyAGEGIOVWEFLUCV-LLVKDONJSA-N
MW249.31 g/mol
LogP0.53
Rot. Bonds6

About 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide

3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide (PubChem CID 103795148) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
PubChem CID103795148
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
SMILESCCC[C@@H](N)C(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-2-4-11(14)13(18)16-8-9-5-3-6-10(7-9)12(15)17/h3,5-7,11H,2,4,8,14H2,1H3,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyAGEGIOVWEFLUCV-LLVKDONJSA-N
XLogP0.53
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119287338
2-amino-N-benzylpentanamide
CID 11020044
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
3-[(propanoylamino)methyl]benzamide
CID 32636451
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
CID 65229324
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide (CID 103795148) is 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide is CCC[C@@H](N)C(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide?
The InChIKey is AGEGIOVWEFLUCV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-4-11(14)13(18)16-8-9-5-3-6-10(7-9)12(15)17/h3,5-7,11H,2,4,8,14H2,1H3,(H2,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide?
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide is sourced from PubChem (CID 103795148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).