(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide

C11H22N2O2 — CID 66004860

IUPAC(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CC(O)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)3-10(12)11(15)13-6-8-4-9(14)5-8/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t8?,9?,10-/m0/s1
InChIKeyBJJVQICWTPJXQB-RTBKNWGFSA-N
MW214.31 g/mol
LogP0.25
Rot. Bonds5

About (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide

(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide (PubChem CID 66004860) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
PubChem CID66004860
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CC(O)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)3-10(12)11(15)13-6-8-4-9(14)5-8/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t8?,9?,10-/m0/s1
InChIKeyBJJVQICWTPJXQB-RTBKNWGFSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 114264790
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(3-hydroxycyclobutyl)methylurea
CID 66005226
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
2-[[4-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclohexanecarbonyl]amino]butanedioic acid
CID 4868836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide (CID 66004860) is (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC1CC(O)C1.
What is the InChIKey of (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide?
The InChIKey is BJJVQICWTPJXQB-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)3-10(12)11(15)13-6-8-4-9(14)5-8/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide?
(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.25, 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-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 66004860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).