6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid

C16H31NO3 — CID 103159401

IUPAC6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNCC(O)CC1CCCC1)CCC(=O)O
InChIInChI=1S/C16H31NO3/c1-16(2,8-7-15(19)20)9-10-17-12-14(18)11-13-5-3-4-6-13/h13-14,17-18H,3-12H2,1-2H3,(H,19,20)
InChIKeySQWNRPCFMMRISG-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.80
Rot. Bonds10

About 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid

6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 103159401) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
PubChem CID103159401
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNCC(O)CC1CCCC1)CCC(=O)O
InChIInChI=1S/C16H31NO3/c1-16(2,8-7-15(19)20)9-10-17-12-14(18)11-13-5-3-4-6-13/h13-14,17-18H,3-12H2,1-2H3,(H,19,20)
InChIKeySQWNRPCFMMRISG-UHFFFAOYSA-N
XLogP2.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
CID 114200371
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid (CID 103159401) is 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNCC(O)CC1CCCC1)CCC(=O)O.
What is the InChIKey of 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is SQWNRPCFMMRISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-16(2,8-7-15(19)20)9-10-17-12-14(18)11-13-5-3-4-6-13/h13-14,17-18H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid?
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 285.43 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 103159401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).