3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid

C15H27NO3 — CID 103551301

IUPAC3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)C1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C15H27NO3/c1-9(2)13(10(3)4)8-16-14(17)11-5-6-12(7-11)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyBIXGVOQUDXGMHN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.53
Rot. Bonds6

About 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551301) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551301
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CNC(=O)C1CCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C15H27NO3/c1-9(2)13(10(3)4)8-16-14(17)11-5-6-12(7-11)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyBIXGVOQUDXGMHN-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
CID 102915394
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63783173
3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107214937
cis-(1S,3R)-3-[(2-hydroxy-4,4-dimethylpentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093202
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551165
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782619
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550835
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551301) is 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)C(CNC(=O)C1CCC(C(=O)O)C1)C(C)C.
What is the InChIKey of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BIXGVOQUDXGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-9(2)13(10(3)4)8-16-14(17)11-5-6-12(7-11)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).