(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide

C15H30N2O2 — CID 54432819

IUPAC(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-11(2)10-17-15(19)9-14(18)13(16)8-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyWIRRDVBLSAZCLY-KBPBESRZSA-N
MW270.42 g/mol
LogP1.81
Rot. Bonds7

About (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide

(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide (PubChem CID 54432819) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
PubChem CID54432819
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-11(2)10-17-15(19)9-14(18)13(16)8-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyWIRRDVBLSAZCLY-KBPBESRZSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The IUPAC name of (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide (CID 54432819) is (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The canonical SMILES for (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide is CC(C)CNC(=O)C[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The InChIKey is WIRRDVBLSAZCLY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)10-17-15(19)9-14(18)13(16)8-12-6-4-3-5-7-12/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
(3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide has a molecular weight of 270.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 54432819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).