(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid

C12H17FN2O3 — CID 70346660

IUPAC(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid
SMILESCOC(CN)CN(Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C12H17FN2O3/c1-18-11(6-14)8-15(12(16)17)7-9-2-4-10(13)5-3-9/h2-5,11H,6-8,14H2,1H3,(H,16,17)
InChIKeyQRWZSTLVMFYEFY-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.28
Rot. Bonds6

About (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid

(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid (PubChem CID 70346660) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid.

Molecular Properties

Compound Name(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid
PubChem CID70346660
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid
SMILESCOC(CN)CN(Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C12H17FN2O3/c1-18-11(6-14)8-15(12(16)17)7-9-2-4-10(13)5-3-9/h2-5,11H,6-8,14H2,1H3,(H,16,17)
InChIKeyQRWZSTLVMFYEFY-UHFFFAOYSA-N
XLogP1.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl-propanoylamino]-2-methylpropanoic acid
CID 82323322
benzyl-(2-bromo-2-methoxyethyl)carbamic acid
CID 68692716
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
ethane;ethyl 2-[benzyl-[(4-fluorophenyl)methyl]amino]-2-oxoacetate
CID 169111632
methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120591840
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid?
The IUPAC name of (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid (CID 70346660) is (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid.
What is the SMILES notation for (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid?
The canonical SMILES for (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid is COC(CN)CN(Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid?
The InChIKey is QRWZSTLVMFYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-18-11(6-14)8-15(12(16)17)7-9-2-4-10(13)5-3-9/h2-5,11H,6-8,14H2,1H3,(H,16,17).
What are the key properties of (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid?
(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid has a molecular weight of 256.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid is sourced from PubChem (CID 70346660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).