(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide

C11H23N3O2 — CID 79013579

IUPAC(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
SMILESCCCCN(CC(N)=O)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-4-5-6-14(7-9(12)15)11(16)10(13)8(2)3/h8,10H,4-7,13H2,1-3H3,(H2,12,15)/t10-/m1/s1
InChIKeyKTDMZGHRIUIPKQ-SNVBAGLBSA-N
MW229.32 g/mol
LogP0.08
Rot. Bonds7

About (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide (PubChem CID 79013579) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
PubChem CID79013579
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
SMILESCCCCN(CC(N)=O)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-4-5-6-14(7-9(12)15)11(16)10(13)8(2)3/h8,10H,4-7,13H2,1-3H3,(H2,12,15)/t10-/m1/s1
InChIKeyKTDMZGHRIUIPKQ-SNVBAGLBSA-N
XLogP0.08
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide (CID 79013579) is (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide is CCCCN(CC(N)=O)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide?
The InChIKey is KTDMZGHRIUIPKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-5-6-14(7-9(12)15)11(16)10(13)8(2)3/h8,10H,4-7,13H2,1-3H3,(H2,12,15)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide?
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide is sourced from PubChem (CID 79013579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).