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

C12H20N2O4 — CID 102865658

IUPAC1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N(CCO)C1CCC1
InChIInChI=1S/C12H20N2O4/c15-8-7-14(9-3-1-4-9)11(18)13-12(10(16)17)5-2-6-12/h9,15H,1-8H2,(H,13,18)(H,16,17)
InChIKeyNERKYZQAMLAFDA-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.55
Rot. Bonds5

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

1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 102865658) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID102865658
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N(CCO)C1CCC1
InChIInChI=1S/C12H20N2O4/c15-8-7-14(9-3-1-4-9)11(18)13-12(10(16)17)5-2-6-12/h9,15H,1-8H2,(H,13,18)(H,16,17)
InChIKeyNERKYZQAMLAFDA-UHFFFAOYSA-N
XLogP0.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 102865457
1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 54997563
1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61452408
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102866019
1-[[butyl(cyclopropyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61443998
4-[[butyl(cyclopropyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292961
1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096453
1-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481655
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (CID 102865658) is 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)N(CCO)C1CCC1.
What is the InChIKey of 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is NERKYZQAMLAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-8-7-14(9-3-1-4-9)11(18)13-12(10(16)17)5-2-6-12/h9,15H,1-8H2,(H,13,18)(H,16,17).
What are the key properties of 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 102865658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).