4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid

C15H28N2O3 — CID 107419995

IUPAC4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCNC(=O)NCC1CCCC1C)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(6-7-14(18)19)8-9-16-15(20)17-10-13-5-3-4-12(13)2/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyNDOXLAFPUBNJCZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds8

About 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid

4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid (PubChem CID 107419995) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
PubChem CID107419995
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCNC(=O)NCC1CCCC1C)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(6-7-14(18)19)8-9-16-15(20)17-10-13-5-3-4-12(13)2/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyNDOXLAFPUBNJCZ-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 79361337
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
CID 64733713
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid (CID 107419995) is 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid is CC(CCNC(=O)NCC1CCCC1C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is NDOXLAFPUBNJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(6-7-14(18)19)8-9-16-15(20)17-10-13-5-3-4-12(13)2/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 107419995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).