2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 106005026

IUPAC2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCCCC1CCCC1)NCC1CCCC1C(=O)O
InChIInChI=1S/C16H28N2O3/c19-15(20)14-9-3-8-13(14)11-18-16(21)17-10-4-7-12-5-1-2-6-12/h12-14H,1-11H2,(H,19,20)(H2,17,18,21)
InChIKeyUQPZPXURDMNYKN-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.76
Rot. Bonds7

About 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 106005026) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID106005026
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCCCC1CCCC1)NCC1CCCC1C(=O)O
InChIInChI=1S/C16H28N2O3/c19-15(20)14-9-3-8-13(14)11-18-16(21)17-10-4-7-12-5-1-2-6-12/h12-14H,1-11H2,(H,19,20)(H2,17,18,21)
InChIKeyUQPZPXURDMNYKN-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.76
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

2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
2-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106215949
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106239832
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106239325
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea
CID 166381083
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106294840
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
3-cyclohexylpropylcarbamic acid
CID 54479876

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid (CID 106005026) is 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is O=C(NCCCC1CCCC1)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is UQPZPXURDMNYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(20)14-9-3-8-13(14)11-18-16(21)17-10-4-7-12-5-1-2-6-12/h12-14H,1-11H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid?
2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106005026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).