5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid

C15H29NO3 — CID 163642366

IUPAC5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid
SMILESCCC(CCC(O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-2-12(15(18)19)10-11-14(17)16-13-8-6-4-3-5-7-9-13/h12-14,16-17H,2-11H2,1H3,(H,18,19)
InChIKeyIFJHWVRQUVYCKO-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.90
Rot. Bonds7

About 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid

5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid (PubChem CID 163642366) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid
PubChem CID163642366
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid
SMILESCCC(CCC(O)NC1CCCCCCC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-2-12(15(18)19)10-11-14(17)16-13-8-6-4-3-5-7-9-13/h12-14,16-17H,2-11H2,1H3,(H,18,19)
InChIKeyIFJHWVRQUVYCKO-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 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 ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclohexylamino)heptanoic acid
CID 60998800
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(cyclopentylamino)methyl]pentanoic acid
CID 82933542
2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
CID 112516456
5-amino-N-cycloheptyl-2-ethylpentanamide
CID 112515741
1-(cyclohexylamino)ethane-1,2-diol
CID 123616579
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
N-cyclooctyl-2-ethylhexanamide
CID 3989939
4-[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]-2-ethylbutanoic acid
CID 70940471
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564

Frequently Asked Questions

What is the IUPAC name of 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid?
The IUPAC name of 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid (CID 163642366) is 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid.
What is the SMILES notation for 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid?
The canonical SMILES for 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid is CCC(CCC(O)NC1CCCCCCC1)C(=O)O.
What is the InChIKey of 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid?
The InChIKey is IFJHWVRQUVYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-12(15(18)19)10-11-14(17)16-13-8-6-4-3-5-7-9-13/h12-14,16-17H,2-11H2,1H3,(H,18,19).
What are the key properties of 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid?
5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid is sourced from PubChem (CID 163642366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).