(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide

C13H26N2O — CID 103833263

IUPAC(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-10(4)11(14)12(16)15-8-13(6-7-13)9(2)3/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyDFYOUANGVWMOTE-DTIOYNMSSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide

(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide (PubChem CID 103833263) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
PubChem CID103833263
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-10(4)11(14)12(16)15-8-13(6-7-13)9(2)3/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyDFYOUANGVWMOTE-DTIOYNMSSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742368
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide (CID 103833263) is (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide is CCC(C)[C@H](N)C(=O)NCC1(C(C)C)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide?
The InChIKey is DFYOUANGVWMOTE-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-10(4)11(14)12(16)15-8-13(6-7-13)9(2)3/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide?
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 103833263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).