(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide

C11H22N2O2 — CID 104985342

IUPAC(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
SMILESCC[C@@H](N)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-9(12)10(14)13(2)8-11(15)6-4-5-7-11/h9,15H,3-8,12H2,1-2H3/t9-/m1/s1
InChIKeyXKLIKJNESJUWIZ-SECBINFHSA-N
MW214.31 g/mol
LogP0.49
Rot. Bonds4

About (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide

(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide (PubChem CID 104985342) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
PubChem CID104985342
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
SMILESCC[C@@H](N)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-9(12)10(14)13(2)8-11(15)6-4-5-7-11/h9,15H,3-8,12H2,1-2H3/t9-/m1/s1
InChIKeyXKLIKJNESJUWIZ-SECBINFHSA-N
XLogP0.49
TPSA66.56 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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 114948694
ethyl 2-amino-3-[(1-hydroxycyclopentyl)methyl-methylamino]-3-oxopropanoate
CID 114949038
(2S)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-phenylpropanamide
CID 104985329
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499357
N-(1-adamantylmethyl)-2-amino-N-methylbutanamide
CID 54870796
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 115760056
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
CID 114950146
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 104985357
3-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 114950739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide (CID 104985342) is (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide is CC[C@@H](N)C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
The InChIKey is XKLIKJNESJUWIZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9(12)10(14)13(2)8-11(15)6-4-5-7-11/h9,15H,3-8,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 104985342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).