2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid

C13H24N2O3 — CID 79256990

IUPAC2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)15(9-11(16)17)12(18)14(4)10-7-5-6-8-10/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeySKIORGLQFYADCE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds3

About 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid

2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 79256990) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
PubChem CID79256990
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)15(9-11(16)17)12(18)14(4)10-7-5-6-8-10/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeySKIORGLQFYADCE-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 79256922
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
CID 105419669
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
2-[tert-butyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 79257101
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid (CID 79256990) is 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid is CN(C(=O)N(CC(=O)O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is SKIORGLQFYADCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)15(9-11(16)17)12(18)14(4)10-7-5-6-8-10/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79256990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).