4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid

C16H30N2O3 — CID 107474794

IUPAC4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCC1CCCC1CNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11-6-5-7-12(11)9-17-15(21)18-10-13(14(19)20)8-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyXZBSVVUCSIUOOT-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.86
Rot. Bonds6

About 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid

4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid (PubChem CID 107474794) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
PubChem CID107474794
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCC1CCCC1CNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11-6-5-7-12(11)9-17-15(21)18-10-13(14(19)20)8-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyXZBSVVUCSIUOOT-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid with MolForge

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Related Compounds

2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid (CID 107474794) is 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid is CC1CCCC1CNC(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is XZBSVVUCSIUOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11-6-5-7-12(11)9-17-15(21)18-10-13(14(19)20)8-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 107474794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).