2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid

C15H28N2O3 — CID 107473976

IUPAC2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NCC1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)8-12(13(18)19)10-17-14(20)16-9-11-6-4-5-7-11/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPCIUMYIPWZSICD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds6

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

2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473976) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
PubChem CID107473976
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NCC1CCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)8-12(13(18)19)10-17-14(20)16-9-11-6-4-5-7-11/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPCIUMYIPWZSICD-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
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

4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
CID 107474794
2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473872
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474753
4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
CID 107475538

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid (CID 107473976) is 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)NCC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
The InChIKey is PCIUMYIPWZSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)8-12(13(18)19)10-17-14(20)16-9-11-6-4-5-7-11/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid?
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).