3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide

C13H26N2O2 — CID 23297962

IUPAC3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide
SMILESCC(C)C(N)C(O)C(=O)NCC1(C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-9(2)10(14)11(16)12(17)15-8-13(3)6-4-5-7-13/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyATJDSAVKQMWVAX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide

3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide (PubChem CID 23297962) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide
PubChem CID23297962
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide
SMILESCC(C)C(N)C(O)C(=O)NCC1(C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-9(2)10(14)11(16)12(17)15-8-13(3)6-4-5-7-13/h9-11,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyATJDSAVKQMWVAX-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide?
The IUPAC name of 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide (CID 23297962) is 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide.
What is the SMILES notation for 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide?
The canonical SMILES for 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide is CC(C)C(N)C(O)C(=O)NCC1(C)CCCC1.
What is the InChIKey of 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide?
The InChIKey is ATJDSAVKQMWVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)10(14)11(16)12(17)15-8-13(3)6-4-5-7-13/h9-11,16H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide?
3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide is sourced from PubChem (CID 23297962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).