(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid

C15H25NO3 — CID 5289119

IUPAC(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid
SMILESC#CCC(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-2-6-12(15(18)19)10-14(17)13(16)9-11-7-4-3-5-8-11/h1,11-14,17H,3-10,16H2,(H,18,19)/t12?,13-,14+/m0/s1
InChIKeyLBVTXTJVEPPIKK-KFTPUPIBSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds7

About (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid

(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid (PubChem CID 5289119) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid.

Molecular Properties

Compound Name(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid
PubChem CID5289119
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid
SMILESC#CCC(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-2-6-12(15(18)19)10-14(17)13(16)9-11-7-4-3-5-8-11/h1,11-14,17H,3-10,16H2,(H,18,19)/t12?,13-,14+/m0/s1
InChIKeyLBVTXTJVEPPIKK-KFTPUPIBSA-N
XLogP1.76
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid?
The IUPAC name of (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid (CID 5289119) is (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid.
What is the SMILES notation for (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid?
The canonical SMILES for (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid is C#CCC(C[C@@H](O)[C@@H](N)CC1CCCCC1)C(=O)O.
What is the InChIKey of (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid?
The InChIKey is LBVTXTJVEPPIKK-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-6-12(15(18)19)10-14(17)13(16)9-11-7-4-3-5-8-11/h1,11-14,17H,3-10,16H2,(H,18,19)/t12?,13-,14+/m0/s1.
What are the key properties of (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid?
(4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid has a molecular weight of 267.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-prop-2-ynylhexanoic acid is sourced from PubChem (CID 5289119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).