[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate

C9H18N2O3 — CID 139822061

IUPAC[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate
SMILESNCCCCNC(=O)O[C@H]1CCOC1
InChIInChI=1S/C9H18N2O3/c10-4-1-2-5-11-9(12)14-8-3-6-13-7-8/h8H,1-7,10H2,(H,11,12)/t8-/m0/s1
InChIKeyVORLYOYWOOGDAV-QMMMGPOBSA-N
MW202.25 g/mol
LogP0.24
Rot. Bonds5

About [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate

[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate (PubChem CID 139822061) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate
PubChem CID139822061
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate
SMILESNCCCCNC(=O)O[C@H]1CCOC1
InChIInChI=1S/C9H18N2O3/c10-4-1-2-5-11-9(12)14-8-3-6-13-7-8/h8H,1-7,10H2,(H,11,12)/t8-/m0/s1
InChIKeyVORLYOYWOOGDAV-QMMMGPOBSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-amino-N-(oxolan-3-yloxy)octanamide
CID 89167613
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
cyclopropyl N-(2-aminoethyl)carbamate
CID 105428634
amino N-(6-aminohexyl)carbamate
CID 174870719
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
(2,3,4,5,6,7,8-heptahydroxycyclononyl) N-(3-aminopropyl)carbamate
CID 138690335
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
oxan-4-yl N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]carbamate
CID 100763040
1,3-dioxan-5-yl N-(2-hydroxyethyl)carbamate
CID 101466737
cyclopropyl N-butylcarbamate
CID 165447718
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate (CID 139822061) is [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate is NCCCCNC(=O)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate?
The InChIKey is VORLYOYWOOGDAV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-4-1-2-5-11-9(12)14-8-3-6-13-7-8/h8H,1-7,10H2,(H,11,12)/t8-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate?
[(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-(4-aminobutyl)carbamate is sourced from PubChem (CID 139822061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).