3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid

C14H24N2O4 — CID 107419034

IUPAC3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NCC1CCCC1C
InChIInChI=1S/C14H24N2O4/c1-9(7-13(18)19)6-12(17)16-14(20)15-8-11-5-3-4-10(11)2/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeySJBZSSPNCPNTBV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds6

About 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid

3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 107419034) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID107419034
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NCC1CCCC1C
InChIInChI=1S/C14H24N2O4/c1-9(7-13(18)19)6-12(17)16-14(20)15-8-11-5-3-4-10(11)2/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeySJBZSSPNCPNTBV-UHFFFAOYSA-N
XLogP1.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79360156
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
(E)-4-[(2-methylcyclohexyl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 55011790
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid (CID 107419034) is 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)NCC1CCCC1C.
What is the InChIKey of 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is SJBZSSPNCPNTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(7-13(18)19)6-12(17)16-14(20)15-8-11-5-3-4-10(11)2/h9-11H,3-8H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid?
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107419034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).