2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid

C11H18N2O5 — CID 43656480

IUPAC2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCCOC(=O)NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C11H18N2O5/c1-2-18-11(17)12-9(14)6-13(7-10(15)16)5-8-3-4-8/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyPXXUUVIZLFRKGM-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.06
Rot. Bonds7

About 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43656480) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43656480
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCCOC(=O)NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C11H18N2O5/c1-2-18-11(17)12-9(14)6-13(7-10(15)16)5-8-3-4-8/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyPXXUUVIZLFRKGM-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656806
ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792486
2-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 61011883
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684
2-[cyclopropylmethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656730
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
ethyl N-(cyclopropanecarbonyl)carbamate
CID 45084465

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid (CID 43656480) is 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid is CCOC(=O)NC(=O)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is PXXUUVIZLFRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-2-18-11(17)12-9(14)6-13(7-10(15)16)5-8-3-4-8/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).