(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid

C7H13F3N2O5 — CID 90114571

IUPAC(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid
SMILESCOCC(N)CNC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O3.C2HF3O2/c1-10-3-4(6)2-7-5(8)9;3-2(4,5)1(6)7/h4,7H,2-3,6H2,1H3,(H,8,9);(H,6,7)
InChIKeyITGGHJKDDAHVDQ-UHFFFAOYSA-N
MW262.18 g/mol
LogP-0.14
Rot. Bonds4

About (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid

(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 90114571) has the molecular formula C7H13F3N2O5 and a molecular weight of 262.18 g/mol. Its IUPAC name is (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid
PubChem CID90114571
Molecular FormulaC7H13F3N2O5
Molecular Weight262.18 g/mol
Exact Mass262.08
IUPAC Name(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid
SMILESCOCC(N)CNC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O3.C2HF3O2/c1-10-3-4(6)2-7-5(8)9;3-2(4,5)1(6)7/h4,7H,2-3,6H2,1H3,(H,8,9);(H,6,7)
InChIKeyITGGHJKDDAHVDQ-UHFFFAOYSA-N
XLogP-0.14
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-propan-2-yloxypropyl)carbamic acid
CID 90113909
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
1-(1H-indol-3-yl)-3-methoxypropan-2-amine;2,2,2-trifluoroacetic acid
CID 139431923
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 146459167
methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
2,2-dimethoxyethylcarbamic acid
CID 18938836

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid (CID 90114571) is (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid is COCC(N)CNC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid?
The InChIKey is ITGGHJKDDAHVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3.C2HF3O2/c1-10-3-4(6)2-7-5(8)9;3-2(4,5)1(6)7/h4,7H,2-3,6H2,1H3,(H,8,9);(H,6,7).
What are the key properties of (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid?
(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 262.18 g/mol, XLogP of -0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90114571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).