2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate

C10H21N3O4 — CID 83211878

IUPAC2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
SMILESNC(=O)OCCNCC(O)CN1CCOCC1
InChIInChI=1S/C10H21N3O4/c11-10(15)17-4-1-12-7-9(14)8-13-2-5-16-6-3-13/h9,12,14H,1-8H2,(H2,11,15)
InChIKeyBMSLMZNQNQXXSG-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.64
Rot. Bonds7

About 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate

2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate (PubChem CID 83211878) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
PubChem CID83211878
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
SMILESNC(=O)OCCNCC(O)CN1CCOCC1
InChIInChI=1S/C10H21N3O4/c11-10(15)17-4-1-12-7-9(14)8-13-2-5-16-6-3-13/h9,12,14H,1-8H2,(H2,11,15)
InChIKeyBMSLMZNQNQXXSG-UHFFFAOYSA-N
XLogP-1.64
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
CID 82943258
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958
3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide
CID 106277571
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
1-(2-chloroprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574804
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate (CID 83211878) is 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate is NC(=O)OCCNCC(O)CN1CCOCC1.
What is the InChIKey of 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate?
The InChIKey is BMSLMZNQNQXXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c11-10(15)17-4-1-12-7-9(14)8-13-2-5-16-6-3-13/h9,12,14H,1-8H2,(H2,11,15).
What are the key properties of 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate?
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate has a molecular weight of 247.29 g/mol, XLogP of -1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate is sourced from PubChem (CID 83211878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).