(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide

C11H22N2O2 — CID 104874186

IUPAC(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(O)CCC1
InChIInChI=1S/C11H22N2O2/c1-3-8(2)9(12)10(14)13-7-11(15)5-4-6-11/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyFTCWVNQAJAZYIG-GKAPJAKFSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds5

About (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide

(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide (PubChem CID 104874186) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
PubChem CID104874186
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(O)CCC1
InChIInChI=1S/C11H22N2O2/c1-3-8(2)9(12)10(14)13-7-11(15)5-4-6-11/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyFTCWVNQAJAZYIG-GKAPJAKFSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103833263
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide (CID 104874186) is (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCC1(O)CCC1.
What is the InChIKey of (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide?
The InChIKey is FTCWVNQAJAZYIG-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-8(2)9(12)10(14)13-7-11(15)5-4-6-11/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide?
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 104874186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).