(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide

C9H20N4O2 — CID 83110467

IUPAC(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C9H20N4O2/c1-4-7(10)8(14)11-5-6-12-9(15)13(2)3/h7H,4-6,10H2,1-3H3,(H,11,14)(H,12,15)/t7-/m1/s1
InChIKeyZRBPGOSPIIGUAT-SSDOTTSWSA-N
MW216.28 g/mol
LogP-0.89
Rot. Bonds5

About (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide

(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide (PubChem CID 83110467) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
PubChem CID83110467
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C9H20N4O2/c1-4-7(10)8(14)11-5-6-12-9(15)13(2)3/h7H,4-6,10H2,1-3H3,(H,11,14)(H,12,15)/t7-/m1/s1
InChIKeyZRBPGOSPIIGUAT-SSDOTTSWSA-N
XLogP-0.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide 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

2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
3-[2-(dimethylcarbamoylamino)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114898904
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methyl-3-sulfanylidenepropanamide
CID 83120557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide (CID 83110467) is (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide is CC[C@@H](N)C(=O)NCCNC(=O)N(C)C.
What is the InChIKey of (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
The InChIKey is ZRBPGOSPIIGUAT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-4-7(10)8(14)11-5-6-12-9(15)13(2)3/h7H,4-6,10H2,1-3H3,(H,11,14)(H,12,15)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide?
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide is sourced from PubChem (CID 83110467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).