2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid

C12H22N2O3 — CID 55137125

IUPAC2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(C)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-11(15)16)12(17)13(3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyHNJKLJQAPLOXDR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.78
Rot. Bonds4

About 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid

2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid (PubChem CID 55137125) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
PubChem CID55137125
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N(C)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-11(15)16)12(17)13(3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyHNJKLJQAPLOXDR-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
CID 79256990
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
3-[[methyl-(4-methylcyclohexyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61439474
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 61202141

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid (CID 55137125) is 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N(C)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
The InChIKey is HNJKLJQAPLOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14(8-11(15)16)12(17)13(3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid?
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 55137125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).