6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid

C16H30N2O3 — CID 106005327

IUPAC6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
SMILESCC(CCNC(=O)NCCCC1CCCC1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-13(8-9-15(19)20)10-12-18-16(21)17-11-4-7-14-5-2-3-6-14/h13-14H,2-12H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYSVKFOZRFLNMSS-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.15
Rot. Bonds10

About 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid

6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid (PubChem CID 106005327) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid.

Molecular Properties

Compound Name6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
PubChem CID106005327
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
SMILESCC(CCNC(=O)NCCCC1CCCC1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-13(8-9-15(19)20)10-12-18-16(21)17-11-4-7-14-5-2-3-6-14/h13-14H,2-12H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYSVKFOZRFLNMSS-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111504730
3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 79361337
9-cyclopropyl-4-methylnonanoic acid
CID 142774647
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111479340
4-methyl-6-[[2-(thian-4-yl)acetyl]amino]hexanoic acid
CID 83145581
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid?
The IUPAC name of 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid (CID 106005327) is 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid.
What is the SMILES notation for 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid?
The canonical SMILES for 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid is CC(CCNC(=O)NCCCC1CCCC1)CCC(=O)O.
What is the InChIKey of 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid?
The InChIKey is YSVKFOZRFLNMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(8-9-15(19)20)10-12-18-16(21)17-11-4-7-14-5-2-3-6-14/h13-14H,2-12H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid?
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.15, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid is sourced from PubChem (CID 106005327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).