4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 114390885

IUPAC4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCNC(=O)CCNC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-5-15-12(17)4-6-16-13(18)10-7-9(2)8-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyAQBDKLDPPSLMSH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.77
Rot. Bonds7

About 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390885) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390885
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCNC(=O)CCNC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-3-5-15-12(17)4-6-16-13(18)10-7-9(2)8-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyAQBDKLDPPSLMSH-UHFFFAOYSA-N
XLogP0.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390553
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
cis-(1R,2S)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092285
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
1-N,1-N-diethyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130489
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099268
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114099275

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 114390885) is 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid is CCCNC(=O)CCNC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is AQBDKLDPPSLMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-5-15-12(17)4-6-16-13(18)10-7-9(2)8-11(10)14(19)20/h9-11H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).