2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid

C13H24N2O3 — CID 65223857

IUPAC2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC1(C)CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-10(11(16)17)9-14-12(18)15-13(2)7-4-5-8-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyMYUYGQGGNVTFMK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds6

About 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid

2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 65223857) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid
PubChem CID65223857
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC1(C)CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-10(11(16)17)9-14-12(18)15-13(2)7-4-5-8-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyMYUYGQGGNVTFMK-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 107474278
2-methoxy-3-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
CID 106110254
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[(4-methylpentan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 65223798
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
CID 65223693
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628
2-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]butanoic acid
CID 114159445

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid (CID 65223857) is 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NC1(C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is MYUYGQGGNVTFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-10(11(16)17)9-14-12(18)15-13(2)7-4-5-8-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid?
2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65223857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).