2,3-diamino-N-benzylbutanamide

C11H17N3O — CID 143155055

IUPAC2,3-diamino-N-benzylbutanamide
SMILESCC(N)C(N)C(=O)NCc1ccccc1
InChIInChI=1S/C11H17N3O/c1-8(12)10(13)11(15)14-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12-13H2,1H3,(H,14,15)
InChIKeyNKLRHWZVVNPQTF-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.02
Rot. Bonds4

About 2,3-diamino-N-benzylbutanamide

2,3-diamino-N-benzylbutanamide (PubChem CID 143155055) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,3-diamino-N-benzylbutanamide.

Molecular Properties

Compound Name2,3-diamino-N-benzylbutanamide
PubChem CID143155055
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2,3-diamino-N-benzylbutanamide
SMILESCC(N)C(N)C(=O)NCc1ccccc1
InChIInChI=1S/C11H17N3O/c1-8(12)10(13)11(15)14-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12-13H2,1H3,(H,14,15)
InChIKeyNKLRHWZVVNPQTF-UHFFFAOYSA-N
XLogP-0.02
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
2-amino-N-benzylpentanamide
CID 11020044
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-benzylbutanamide?
The IUPAC name of 2,3-diamino-N-benzylbutanamide (CID 143155055) is 2,3-diamino-N-benzylbutanamide.
What is the SMILES notation for 2,3-diamino-N-benzylbutanamide?
The canonical SMILES for 2,3-diamino-N-benzylbutanamide is CC(N)C(N)C(=O)NCc1ccccc1.
What is the InChIKey of 2,3-diamino-N-benzylbutanamide?
The InChIKey is NKLRHWZVVNPQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(12)10(13)11(15)14-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12-13H2,1H3,(H,14,15).
What are the key properties of 2,3-diamino-N-benzylbutanamide?
2,3-diamino-N-benzylbutanamide has a molecular weight of 207.28 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-benzylbutanamide is sourced from PubChem (CID 143155055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).