2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid

C14H26N2O3 — CID 61202141

IUPAC2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
SMILESCC(C)C(C)N(C)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)11(3)15(4)14(19)16(9-13(17)18)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyVSSNJFBFRJHEEQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds5

About 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 61202141) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
PubChem CID61202141
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
SMILESCC(C)C(C)N(C)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)11(3)15(4)14(19)16(9-13(17)18)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3,(H,17,18)
InChIKeyVSSNJFBFRJHEEQ-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 61201390
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
CID 79012295
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
2-[cyclopentyl-(2-methyl-4-oxopentanethioyl)amino]acetic acid
CID 57109765
2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503
2-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid (CID 61202141) is 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid is CC(C)C(C)N(C)C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is VSSNJFBFRJHEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)11(3)15(4)14(19)16(9-13(17)18)12-7-5-6-8-12/h10-12H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61202141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).