(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide

C10H20N2O — CID 103796865

IUPAC(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
SMILESCCC1CC1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H20N2O/c1-4-7-5-8(7)12-10(13)9(11)6(2)3/h6-9H,4-5,11H2,1-3H3,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyQMXAWTXPUBVNIL-HACHORDNSA-N
MW184.28 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide

(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide (PubChem CID 103796865) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
PubChem CID103796865
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
SMILESCCC1CC1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H20N2O/c1-4-7-5-8(7)12-10(13)9(11)6(2)3/h6-9H,4-5,11H2,1-3H3,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyQMXAWTXPUBVNIL-HACHORDNSA-N
XLogP0.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
CID 131131939
(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
CID 130965044
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
3-amino-N-(2-ethylcyclopropyl)-2-methoxypropanamide
CID 106114319
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide (CID 103796865) is (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide is CCC1CC1NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide?
The InChIKey is QMXAWTXPUBVNIL-HACHORDNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-7-5-8(7)12-10(13)9(11)6(2)3/h6-9H,4-5,11H2,1-3H3,(H,12,13)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide?
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide is sourced from PubChem (CID 103796865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).