1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid

C10H18N2O4 — CID 81163295

IUPAC1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCCN(CCO)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c1-2-12(6-7-13)9(16)11-10(8(14)15)4-3-5-10/h13H,2-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyNANFUGIBKGQKJG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.02
Rot. Bonds5

About 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid

1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81163295) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81163295
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCCN(CCO)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H18N2O4/c1-2-12(6-7-13)9(16)11-10(8(14)15)4-3-5-10/h13H,2-7H2,1H3,(H,11,16)(H,14,15)
InChIKeyNANFUGIBKGQKJG-UHFFFAOYSA-N
XLogP0.02
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102995551
1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 63691822
1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481655
1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102865658
1-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61449694
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61294281
1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81155694
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64894088
1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61192725
1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 63954830

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81163295) is 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is CCN(CCO)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is NANFUGIBKGQKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-12(6-7-13)9(16)11-10(8(14)15)4-3-5-10/h13H,2-7H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).