(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide

C11H22N2O2 — CID 79025652

IUPAC(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC1CCCC1O
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-6-8-4-3-5-9(8)14/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t8?,9?,10-/m0/s1
InChIKeyNJVBOGCVFSTAEV-RTBKNWGFSA-N
MW214.31 g/mol
LogP0.25
Rot. Bonds4

About (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide

(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide (PubChem CID 79025652) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
PubChem CID79025652
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC1CCCC1O
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-6-8-4-3-5-9(8)14/h7-10,14H,3-6,12H2,1-2H3,(H,13,15)/t8?,9?,10-/m0/s1
InChIKeyNJVBOGCVFSTAEV-RTBKNWGFSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
CID 120501252
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107031039
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
CID 164549432
CID 164549432
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide (CID 79025652) is (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC1CCCC1O.
What is the InChIKey of (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The InChIKey is NJVBOGCVFSTAEV-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-6-8-4-3-5-9(8)14/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-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide?
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 79025652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).