1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid

C10H18N2O4 — CID 81057648

IUPAC1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
SMILESCCOCCN(C)C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-3-16-7-6-12(2)9(15)11-10(4-5-10)8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyPMZHGYZFJNLWJG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds6

About 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid

1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 81057648) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
PubChem CID81057648
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
SMILESCCOCCN(C)C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-3-16-7-6-12(2)9(15)11-10(4-5-10)8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyPMZHGYZFJNLWJG-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 63691822
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 106917097
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid (CID 81057648) is 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid is CCOCCN(C)C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is PMZHGYZFJNLWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-16-7-6-12(2)9(15)11-10(4-5-10)8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 81057648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).