2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid

C16H30N2O3 — CID 107474536

IUPAC2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-15(2,3)9-11(13(19)20)10-17-14(21)18-12-7-6-8-16(12,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyGVCIBVDQFLNXBC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds5

About 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid

2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474536) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474536
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-15(2,3)9-11(13(19)20)10-17-14(21)18-12-7-6-8-16(12,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyGVCIBVDQFLNXBC-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid with MolForge

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Related Compounds

2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea
CID 111841149
4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid
CID 79878699
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 79877770
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid (CID 107474536) is 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)NC1CCCC1(C)C)C(=O)O.
What is the InChIKey of 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is GVCIBVDQFLNXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)9-11(13(19)20)10-17-14(21)18-12-7-6-8-16(12,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).