1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide

C20H24ClF2N7O2 — CID 10027610

IUPAC1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC1(C[C@@H](N)C(=O)N2CC(F)(F)CC2C(=O)NCc2cc(Cl)ccc2-n2cnnn2)CC1
InChIInChI=1S/C20H24ClF2N7O2/c1-19(4-5-19)7-14(24)18(32)29-10-20(22,23)8-16(29)17(31)25-9-12-6-13(21)2-3-15(12)30-11-26-27-28-30/h2-3,6,11,14,16H,4-5,7-10,24H2,1H3,(H,25,31)/t14-,16?/m1/s1
InChIKeySFRMMVGVSBUDIK-IURRXHLWSA-N
MW467.91 g/mol
LogP1.69
Rot. Bonds7

About 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide

1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 10027610) has the molecular formula C20H24ClF2N7O2 and a molecular weight of 467.91 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID10027610
Molecular FormulaC20H24ClF2N7O2
Molecular Weight467.91 g/mol
Exact Mass467.16
IUPAC Name1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCC1(C[C@@H](N)C(=O)N2CC(F)(F)CC2C(=O)NCc2cc(Cl)ccc2-n2cnnn2)CC1
InChIInChI=1S/C20H24ClF2N7O2/c1-19(4-5-19)7-14(24)18(32)29-10-20(22,23)8-16(29)17(31)25-9-12-6-13(21)2-3-15(12)30-11-26-27-28-30/h2-3,6,11,14,16H,4-5,7-10,24H2,1H3,(H,25,31)/t14-,16?/m1/s1
InChIKeySFRMMVGVSBUDIK-IURRXHLWSA-N
XLogP1.69
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 10027610) is 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide is CC1(C[C@@H](N)C(=O)N2CC(F)(F)CC2C(=O)NCc2cc(Cl)ccc2-n2cnnn2)CC1.
What is the InChIKey of 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is SFRMMVGVSBUDIK-IURRXHLWSA-N. The full InChI is InChI=1S/C20H24ClF2N7O2/c1-19(4-5-19)7-14(24)18(32)29-10-20(22,23)8-16(29)17(31)25-9-12-6-13(21)2-3-15(12)30-11-26-27-28-30/h2-3,6,11,14,16H,4-5,7-10,24H2,1H3,(H,25,31)/t14-,16?/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide?
1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 467.91 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-(1-methylcyclopropyl)propanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 10027610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).