(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide

C10H12F2N2O2 — CID 29059969

IUPAC(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESNC(=O)C[C@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)16-7-3-1-6(2-4-7)8(13)5-9(14)15/h1-4,8,10H,5,13H2,(H2,14,15)/t8-/m0/s1
InChIKeyDWVBLGMYZLQSQW-QMMMGPOBSA-N
MW230.21 g/mol
LogP1.16
Rot. Bonds5

About (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide

(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 29059969) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID29059969
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESNC(=O)C[C@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)16-7-3-1-6(2-4-7)8(13)5-9(14)15/h1-4,8,10H,5,13H2,(H2,14,15)/t8-/m0/s1
InChIKeyDWVBLGMYZLQSQW-QMMMGPOBSA-N
XLogP1.16
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate;hydrochloride
CID 174705729
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide (CID 29059969) is (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide is NC(=O)C[C@H](N)c1ccc(OC(F)F)cc1.
What is the InChIKey of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is DWVBLGMYZLQSQW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-10(12)16-7-3-1-6(2-4-7)8(13)5-9(14)15/h1-4,8,10H,5,13H2,(H2,14,15)/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide?
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 230.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 29059969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).