1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea

C15H28N4O3 — CID 95352106

IUPAC1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)C(=O)N1CCCC1
InChIInChI=1S/C15H28N4O3/c1-12(18-7-9-22-10-8-18)11-16-15(21)17-13(2)14(20)19-5-3-4-6-19/h12-13H,3-11H2,1-2H3,(H2,16,17,21)/t12-,13+/m0/s1
InChIKeyVGZXUBOQIBZBAD-QWHCGFSZSA-N
MW312.41 g/mol
LogP0.02
Rot. Bonds5

About 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea

1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea (PubChem CID 95352106) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
PubChem CID95352106
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
SMILESC[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)C(=O)N1CCCC1
InChIInChI=1S/C15H28N4O3/c1-12(18-7-9-22-10-8-18)11-16-15(21)17-13(2)14(20)19-5-3-4-6-19/h12-13H,3-11H2,1-2H3,(H2,16,17,21)/t12-,13+/m0/s1
InChIKeyVGZXUBOQIBZBAD-QWHCGFSZSA-N
XLogP0.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(2R)-2-morpholin-4-ylpropyl]-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352105
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087344

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea (CID 95352106) is 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea is C[C@@H](NC(=O)NC[C@H](C)N1CCOCC1)C(=O)N1CCCC1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
The InChIKey is VGZXUBOQIBZBAD-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-12(18-7-9-22-10-8-18)11-16-15(21)17-13(2)14(20)19-5-3-4-6-19/h12-13H,3-11H2,1-2H3,(H2,16,17,21)/t12-,13+/m0/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea?
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea has a molecular weight of 312.41 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95352106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).