2-morpholin-4-ylpropylcarbamic acid

C8H16N2O3 — CID 54151569

IUPAC2-morpholin-4-ylpropylcarbamic acid
SMILESCC(CNC(=O)O)N1CCOCC1
InChIInChI=1S/C8H16N2O3/c1-7(6-9-8(11)12)10-2-4-13-5-3-10/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyOICIJFOXDSSDFA-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.03
Rot. Bonds3

About 2-morpholin-4-ylpropylcarbamic acid

2-morpholin-4-ylpropylcarbamic acid (PubChem CID 54151569) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-morpholin-4-ylpropylcarbamic acid.

Molecular Properties

Compound Name2-morpholin-4-ylpropylcarbamic acid
PubChem CID54151569
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-morpholin-4-ylpropylcarbamic acid
SMILESCC(CNC(=O)O)N1CCOCC1
InChIInChI=1S/C8H16N2O3/c1-7(6-9-8(11)12)10-2-4-13-5-3-10/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyOICIJFOXDSSDFA-UHFFFAOYSA-N
XLogP-0.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, (3-morpholinylmethyl)-, 1,1-dimethylethyl ester
CID 19691327
Tert-butyl 3-((methylamino)methyl)morpholine-4-carboxylate
CID 67090612
Ethyl 2-methyl-1-piperazinecarboxylate
CID 14722554
ethyl N-[(2R)-2-morpholin-4-ylbut-3-ynyl]carbamate
CID 29948609
[4-(1,3-Difluoropropan-2-yl)morpholin-2-yl]methylcarbamic acid
CID 67501102
(2R,5S)-5-[[(3S)-3-(difluoromethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 169722795
(2R,5S)-5-[[3-(difluoromethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 169742601
2-Methyl-5-[[3-(trifluoromethyl)morpholin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175915876
5-[[(3S)-3-(difluoromethyl)morpholin-4-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 175915900
2,2,2-trifluoroethyl N-(1-morpholin-4-ylpropan-2-yl)carbamate
CID 65168605
ethyl N-[3-(morpholin-4-yl)propyl]carbamate
CID 3613249
methyl N-(3-morpholin-4-ylpropyl)carbamate
CID 3708671

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpropylcarbamic acid?
The IUPAC name of 2-morpholin-4-ylpropylcarbamic acid (CID 54151569) is 2-morpholin-4-ylpropylcarbamic acid.
What is the SMILES notation for 2-morpholin-4-ylpropylcarbamic acid?
The canonical SMILES for 2-morpholin-4-ylpropylcarbamic acid is CC(CNC(=O)O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpropylcarbamic acid?
The InChIKey is OICIJFOXDSSDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(6-9-8(11)12)10-2-4-13-5-3-10/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-morpholin-4-ylpropylcarbamic acid?
2-morpholin-4-ylpropylcarbamic acid has a molecular weight of 188.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpropylcarbamic acid is sourced from PubChem (CID 54151569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).