(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide

C11H20N2O — CID 131001553

IUPAC(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NC1CC2CC2C1
InChIInChI=1S/C11H20N2O/c1-6(2)10(12)11(14)13-9-4-7-3-8(7)5-9/h6-10H,3-5,12H2,1-2H3,(H,13,14)/t7?,8?,9?,10-/m0/s1
InChIKeyNNIHPEMWROUBRU-VVIYDGDNSA-N
MW196.29 g/mol
LogP0.88
Rot. Bonds3

About (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide

(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide (PubChem CID 131001553) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
PubChem CID131001553
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NC1CC2CC2C1
InChIInChI=1S/C11H20N2O/c1-6(2)10(12)11(14)13-9-4-7-3-8(7)5-9/h6-10H,3-5,12H2,1-2H3,(H,13,14)/t7?,8?,9?,10-/m0/s1
InChIKeyNNIHPEMWROUBRU-VVIYDGDNSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
N-Cyclopentyl L-isoleucinamide
CID 24703639
(R)-2-Amino-N-(cyclohexylmethyl)-3-methylbutanamide
CID 54757478
(2S,3S)-2-amino-N-cyclopentyl-3-methylpentanamide
CID 10821834
N-[2-(cyclopentylmethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 45882510
2-amino-N-cyclohexyl-3-methylbutanamide hydrochloride
CID 56832148
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
(2S)-2-amino-N-cyclohexyl-4-methylpentanamide
CID 11806021
(2S)-2-amino-N-cyclohexyl-N,4-dimethylpentanamide
CID 61149041
N-(cyclopropylmethyl)-1-(2-methylpropylamino)cyclopentane-1-carboxamide
CID 75425335
N-cyclopentyl-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 78809330
(2S)-2-amino-N-[(1R,2S,4R,5R)-4-fluoro-2-bicyclo[3.1.0]hexanyl]propanamide
CID 68709897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide (CID 131001553) is (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)NC1CC2CC2C1.
What is the InChIKey of (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide?
The InChIKey is NNIHPEMWROUBRU-VVIYDGDNSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6(2)10(12)11(14)13-9-4-7-3-8(7)5-9/h6-10H,3-5,12H2,1-2H3,(H,13,14)/t7?,8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide?
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide is sourced from PubChem (CID 131001553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).