hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

C10H18N2O3 — CID 90425760

IUPAChexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESCCCCCCN(C(=O)O)[C@H]1CNC1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-4-5-6-12(10(14)15)8-7-11-9(8)13/h8H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyDMFVBXSNMQWYEO-QMMMGPOBSA-N
MW214.26 g/mol
LogP1.05
Rot. Bonds6

About hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 90425760) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Namehexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
PubChem CID90425760
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namehexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESCCCCCCN(C(=O)O)[C@H]1CNC1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-4-5-6-12(10(14)15)8-7-11-9(8)13/h8H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyDMFVBXSNMQWYEO-QMMMGPOBSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915637
hexyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424537
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
CID 90425035
3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424931
3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424416
hexyl(sulfanyl)carbamic acid
CID 175548234
2-(2-cyclohexylethoxy)ethyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915519
octyl(phenyl)carbamic acid
CID 54301990
hexyl(octadecyl)carbamic acid
CID 87702094
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
hexadecyl(methyl)carbamic acid
CID 15173799
CID 87839414
CID 87839414

Frequently Asked Questions

What is the IUPAC name of hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (CID 90425760) is hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is CCCCCCN(C(=O)O)[C@H]1CNC1=O.
What is the InChIKey of hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is DMFVBXSNMQWYEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-3-4-5-6-12(10(14)15)8-7-11-9(8)13/h8H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1.
What are the key properties of hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 214.26 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 90425760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).