4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide

C9H20N2O3 — CID 107865748

IUPAC4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
SMILESCCC(CO)(CO)NC(=O)CCCN
InChIInChI=1S/C9H20N2O3/c1-2-9(6-12,7-13)11-8(14)4-3-5-10/h12-13H,2-7,10H2,1H3,(H,11,14)
InChIKeyYHVPFNLEYRZLPA-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.03
Rot. Bonds7

About 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide

4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide (PubChem CID 107865748) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
PubChem CID107865748
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
SMILESCCC(CO)(CO)NC(=O)CCCN
InChIInChI=1S/C9H20N2O3/c1-2-9(6-12,7-13)11-8(14)4-3-5-10/h12-13H,2-7,10H2,1H3,(H,11,14)
InChIKeyYHVPFNLEYRZLPA-UHFFFAOYSA-N
XLogP-1.03
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]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

6-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4,4-dimethylhexanamide
CID 107865762
methyl 3-(4-aminobutanoylamino)-3-ethylpentanoate;hydrochloride
CID 119344222
6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
CID 62519658
ethyl 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-4-oxobutanoate
CID 104630271
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
CID 107865586
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
7-amino-N-(1-hydroxy-2-methylpropan-2-yl)heptanamide
CID 43500036

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
The IUPAC name of 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide (CID 107865748) is 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide is CCC(CO)(CO)NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
The InChIKey is YHVPFNLEYRZLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-2-9(6-12,7-13)11-8(14)4-3-5-10/h12-13H,2-7,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide?
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide has a molecular weight of 204.27 g/mol, XLogP of -1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide is sourced from PubChem (CID 107865748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).