bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate

C19H21NO7 — CID 10785678

IUPACbis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate
SMILESC=CCOC(=O)CC[C@H](NC(=O)Oc1ccc(C=O)cc1)C(=O)OCC=C
InChIInChI=1S/C19H21NO7/c1-3-11-25-17(22)10-9-16(18(23)26-12-4-2)20-19(24)27-15-7-5-14(13-21)6-8-15/h3-8,13,16H,1-2,9-12H2,(H,20,24)/t16-/m0/s1
InChIKeyUUBJWLPRIJQEMB-INIZCTEOSA-N
MW375.38 g/mol
LogP2.19
Rot. Bonds11

About bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate

bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate (PubChem CID 10785678) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate
PubChem CID10785678
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Namebis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate
SMILESC=CCOC(=O)CC[C@H](NC(=O)Oc1ccc(C=O)cc1)C(=O)OCC=C
InChIInChI=1S/C19H21NO7/c1-3-11-25-17(22)10-9-16(18(23)26-12-4-2)20-19(24)27-15-7-5-14(13-21)6-8-15/h3-8,13,16H,1-2,9-12H2,(H,20,24)/t16-/m0/s1
InChIKeyUUBJWLPRIJQEMB-INIZCTEOSA-N
XLogP2.19
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[[4-[[(2S)-1,5-dioxo-1,5-bis(prop-2-enoxy)pentan-2-yl]carbamoyloxy]phenyl]methoxy]-ethylsulfanium
CID 163789922
bis(prop-2-enyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 102479998
dibenzyl (2S)-2-(phenoxycarbonylamino)pentanedioate
CID 14420383
diethyl (2S)-2-[(4-formylbenzoyl)amino]pentanedioate
CID 13345227
(2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-prop-2-enoxypentanoic acid
CID 102479995
bis(prop-2-enyl) 2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanedioate
CID 10299012
bis(prop-2-enyl) (2S)-2-[(6-amino-1-oxo-1-prop-2-enoxyhexan-2-yl)carbamoylamino]pentanedioate
CID 87221899
bis(prop-2-enyl) (2S)-2-[[4-[[(6S,6aS)-6-hydroxy-2,3-dimethoxy-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenoxy]carbonylamino]pentanedioate
CID 58757608
prop-2-enyl 3-[4-(hydroxymethylcarbamoyloxy)phenyl]propanoate
CID 138627874
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
1-O-octyl 5-O-prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 166076206
prop-2-enyl (2S)-4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoate
CID 140590597

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate?
The IUPAC name of bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate (CID 10785678) is bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate.
What is the SMILES notation for bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate?
The canonical SMILES for bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate is C=CCOC(=O)CC[C@H](NC(=O)Oc1ccc(C=O)cc1)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate?
The InChIKey is UUBJWLPRIJQEMB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO7/c1-3-11-25-17(22)10-9-16(18(23)26-12-4-2)20-19(24)27-15-7-5-14(13-21)6-8-15/h3-8,13,16H,1-2,9-12H2,(H,20,24)/t16-/m0/s1.
What are the key properties of bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate?
bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate has a molecular weight of 375.38 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (2S)-2-[(4-formylphenoxy)carbonylamino]pentanedioate is sourced from PubChem (CID 10785678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).