(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid

C8H14N2O5 — CID 68502094

IUPAC(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid
SMILESO=C(O)NCC(O)C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O5/c11-6(5-9-8(13)14)7(12)10-1-3-15-4-2-10/h6,9,11H,1-5H2,(H,13,14)
InChIKeyCHXODPBJDXLXQU-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.53
Rot. Bonds3

About (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid

(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid (PubChem CID 68502094) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid.

Molecular Properties

Compound Name(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid
PubChem CID68502094
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid
SMILESO=C(O)NCC(O)C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O5/c11-6(5-9-8(13)14)7(12)10-1-3-15-4-2-10/h6,9,11H,1-5H2,(H,13,14)
InChIKeyCHXODPBJDXLXQU-UHFFFAOYSA-N
XLogP-1.53
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
CID 140976949
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509
2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
CID 175945134
1-O-ethyl 4-O-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl) (E)-but-2-enedioate
CID 122667400

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid?
The IUPAC name of (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid (CID 68502094) is (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid.
What is the SMILES notation for (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid?
The canonical SMILES for (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid is O=C(O)NCC(O)C(=O)N1CCOCC1.
What is the InChIKey of (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid?
The InChIKey is CHXODPBJDXLXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c11-6(5-9-8(13)14)7(12)10-1-3-15-4-2-10/h6,9,11H,1-5H2,(H,13,14).
What are the key properties of (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid?
(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid has a molecular weight of 218.21 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid is sourced from PubChem (CID 68502094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).