(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide

C15H20F2N2O2 — CID 120794662

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O2/c1-2-13(11-7-9(16)3-5-12(11)17)19-15(20)14-6-4-10(8-18)21-14/h3,5,7,10,13-14H,2,4,6,8,18H2,1H3,(H,19,20)/t10-,13?,14+/m1/s1
InChIKeyPCIVSWZINZJFET-QQMGMQKYSA-N
MW298.33 g/mol
LogP2.04
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide (PubChem CID 120794662) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
PubChem CID120794662
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
SMILESCCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O2/c1-2-13(11-7-9(16)3-5-12(11)17)19-15(20)14-6-4-10(8-18)21-14/h3,5,7,10,13-14H,2,4,6,8,18H2,1H3,(H,19,20)/t10-,13?,14+/m1/s1
InChIKeyPCIVSWZINZJFET-QQMGMQKYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784088
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
(2S,5R)-5-(aminomethyl)-N-[bis(4-fluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120789691
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120789179
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120784333
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
(2S,5R)-5-(aminomethyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 120794616
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
CID 120787234
(2S,5R)-5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786007
(2S,5R)-5-(aminomethyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]oxolane-2-carboxamide
CID 120796670

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide (CID 120794662) is (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide is CCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1cc(F)ccc1F.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide?
The InChIKey is PCIVSWZINZJFET-QQMGMQKYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-13(11-7-9(16)3-5-12(11)17)19-15(20)14-6-4-10(8-18)21-14/h3,5,7,10,13-14H,2,4,6,8,18H2,1H3,(H,19,20)/t10-,13?,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).