3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid

C15H18N4O5 — CID 122088077

IUPAC3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C15H18N4O5/c20-13(21)3-4-16-14(22)17-10-1-2-11-12(9-10)24-15(18-11)19-5-7-23-8-6-19/h1-2,9H,3-8H2,(H,20,21)(H2,16,17,22)
InChIKeyGAJDHPAOELREAN-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.26
Rot. Bonds5

About 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid

3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid (PubChem CID 122088077) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid
PubChem CID122088077
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C15H18N4O5/c20-13(21)3-4-16-14(22)17-10-1-2-11-12(9-10)24-15(18-11)19-5-7-23-8-6-19/h1-2,9H,3-8H2,(H,20,21)(H2,16,17,22)
InChIKeyGAJDHPAOELREAN-UHFFFAOYSA-N
XLogP1.26
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid (CID 122088077) is 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1.
What is the InChIKey of 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid?
The InChIKey is GAJDHPAOELREAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c20-13(21)3-4-16-14(22)17-10-1-2-11-12(9-10)24-15(18-11)19-5-7-23-8-6-19/h1-2,9H,3-8H2,(H,20,21)(H2,16,17,22).
What are the key properties of 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid?
3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid has a molecular weight of 334.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-yl-1,3-benzoxazol-6-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122088077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).