(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide

C12H24N2O — CID 103812752

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
SMILESCCCC1CC1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-8-7-9(8)14-11(15)10(13)12(2,3)4/h8-10H,5-7,13H2,1-4H3,(H,14,15)/t8?,9?,10-/m1/s1
InChIKeyLGNGUIWQROSCQU-UDNWOFFPSA-N
MW212.34 g/mol
LogP1.66
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide (PubChem CID 103812752) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
PubChem CID103812752
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
SMILESCCCC1CC1NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-8-7-9(8)14-11(15)10(13)12(2,3)4/h8-10H,5-7,13H2,1-4H3,(H,14,15)/t8?,9?,10-/m1/s1
InChIKeyLGNGUIWQROSCQU-UDNWOFFPSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11254190
Ac-leu-nhme
CID 6950977
Glycylleucinamid
CID 6994313
N-(2-amino-2-oxoethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 10058570
(2S)-2-amino-N-hexyl-3-methylbutanamide
CID 53855464
(R)-2-Amino-N-(cyclohexylmethyl)-3-methylbutanamide
CID 54757478
cPrCO-Lys-Leu-NH2
CID 138590920
N-[(2S)-2-amino-4-methylpentyl]acetamide
CID 127044707
AC-Leu-NH2
CID 140111
Pentanamide, 2-(acetylamino)-N,4-dimethyl-
CID 4691503
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 22690995
2-amino-N-cyclohexyl-3-methylbutanamide hydrochloride
CID 56832148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide (CID 103812752) is (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide is CCCC1CC1NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide?
The InChIKey is LGNGUIWQROSCQU-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-8-7-9(8)14-11(15)10(13)12(2,3)4/h8-10H,5-7,13H2,1-4H3,(H,14,15)/t8?,9?,10-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide is sourced from PubChem (CID 103812752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).