(2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C15H24N4O7 — CID 90949704

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)On1c(O)ccc1O
InChIInChI=1S/C15H24N4O7/c1-15(2,3)25-14(24)18-9(5-4-8-17-13(16)23)12(22)26-19-10(20)6-7-11(19)21/h6-7,9,20-21H,4-5,8H2,1-3H3,(H,18,24)(H3,16,17,23)
InChIKeyDZEPSZYIYQSBLW-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.20
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

(2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 90949704) has the molecular formula C15H24N4O7 and a molecular weight of 372.38 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID90949704
Molecular FormulaC15H24N4O7
Molecular Weight372.38 g/mol
Exact Mass372.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)On1c(O)ccc1O
InChIInChI=1S/C15H24N4O7/c1-15(2,3)25-14(24)18-9(5-4-8-17-13(16)23)12(22)26-19-10(20)6-7-11(19)21/h6-7,9,20-21H,4-5,8H2,1-3H3,(H,18,24)(H3,16,17,23)
InChIKeyDZEPSZYIYQSBLW-UHFFFAOYSA-N
XLogP0.20
TPSA165.14 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 90949704) is (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)(C)OC(=O)NC(CCCNC(N)=O)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is DZEPSZYIYQSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O7/c1-15(2,3)25-14(24)18-9(5-4-8-17-13(16)23)12(22)26-19-10(20)6-7-11(19)21/h6-7,9,20-21H,4-5,8H2,1-3H3,(H,18,24)(H3,16,17,23).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 372.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 90949704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).