(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide

C11H22N2O2 — CID 119327659

IUPAC(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
SMILESCOC1CCC(CNC(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?,10?/m0/s1
InChIKeyZQTQEDXVSVSWPT-IDKOKCKLSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds4

About (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide

(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide (PubChem CID 119327659) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
PubChem CID119327659
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
SMILESCOC1CCC(CNC(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?,10?/m0/s1
InChIKeyZQTQEDXVSVSWPT-IDKOKCKLSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
[4-[(2-aminopropanoylamino)methyl]cyclohexyl] nitrate
CID 67862459
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
CID 119790794
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815
(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide (CID 119327659) is (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide is COC1CCC(CNC(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide?
The InChIKey is ZQTQEDXVSVSWPT-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(12)11(14)13-7-9-3-5-10(15-2)6-4-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide?
(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 119327659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).