2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid

C11H18N2O5 — CID 60834931

IUPAC2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCOC(=O)NC(=O)CN(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H18N2O5/c1-18-11(17)12-9(14)6-13(7-10(15)16)8-4-2-3-5-8/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyLLFKEJGQCMMVIZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.20
Rot. Bonds5

About 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid

2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 60834931) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
PubChem CID60834931
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCOC(=O)NC(=O)CN(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H18N2O5/c1-18-11(17)12-9(14)6-13(7-10(15)16)8-4-2-3-5-8/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyLLFKEJGQCMMVIZ-UHFFFAOYSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 80708618
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 61011883
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945675
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid (CID 60834931) is 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid is COC(=O)NC(=O)CN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is LLFKEJGQCMMVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-11(17)12-9(14)6-13(7-10(15)16)8-4-2-3-5-8/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60834931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).