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Enalaprilat

C18H24N2O5 — CID 5462501

💊View drug profile → enalaprilat

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
InChIKeyLZFZMUMEGBBDTC-QEJZJMRPSA-N
MW348.40 g/mol
LogP1.13
Rot. Bonds8

About Enalaprilat

Enalaprilat (PubChem CID 5462501) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound NameEnalaprilat
PubChem CID5462501
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
InChIKeyLZFZMUMEGBBDTC-QEJZJMRPSA-N
XLogP1.13
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Enalapril
CID 5388962
Lisinopril
CID 5362119
Ramipril
CID 5362129
Trandolapril
CID 5484727
Imidapril
CID 5464343
Spirapril
CID 5311447
Enalapril Maleate
CID 5388961
(2S)-1-[(2S)-6-azaniumyl-2-[[(1S)-1-carboxylato-3-phenylpropyl]azaniumyl]hexanoyl]pyrrolidine-2-carboxylate
CID 11865407

Frequently Asked Questions

What is the IUPAC name of Enalaprilat?
The IUPAC name of Enalaprilat (CID 5462501) is (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for Enalaprilat?
The canonical SMILES for Enalaprilat is C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of Enalaprilat?
The InChIKey is LZFZMUMEGBBDTC-QEJZJMRPSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1.
What are the key properties of Enalaprilat?
Enalaprilat has a molecular weight of 348.40 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Enalaprilat is sourced from PubChem (CID 5462501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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