4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide

C10H20N2O2 — CID 115454930

IUPAC4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NCC1(CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2-5-11)9(14)12-6-10(7-13)3-4-10/h8,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyINZYYUFYHLPJKK-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.14
Rot. Bonds6

About 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide

4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide (PubChem CID 115454930) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
PubChem CID115454930
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NCC1(CO)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2-5-11)9(14)12-6-10(7-13)3-4-10/h8,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyINZYYUFYHLPJKK-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
CID 113313291
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
5-amino-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 104685343
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 103513976
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide (CID 115454930) is 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide is CC(CCN)C(=O)NCC1(CO)CC1.
What is the InChIKey of 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide?
The InChIKey is INZYYUFYHLPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2-5-11)9(14)12-6-10(7-13)3-4-10/h8,13H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide?
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide has a molecular weight of 200.28 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide is sourced from PubChem (CID 115454930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).