(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid

C15H29NO3 — CID 5287976

IUPAC(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
InChIKeySRFUYEFGHOTBHV-IHRRRGAJSA-N
MW271.40 g/mol
LogP2.39
Rot. Bonds7

About (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid

(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid (PubChem CID 5287976) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
PubChem CID5287976
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
SMILESCC(C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
InChIKeySRFUYEFGHOTBHV-IHRRRGAJSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
The IUPAC name of (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid (CID 5287976) is (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid.
What is the SMILES notation for (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
The canonical SMILES for (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid is CC(C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
The InChIKey is SRFUYEFGHOTBHV-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1.
What are the key properties of (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid?
(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 5287976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).