[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid

C7H16N2O4 — CID 87440230

IUPAC[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid
SMILESCOCCNC(CNC(=O)O)OC
InChIInChI=1S/C7H16N2O4/c1-12-4-3-8-6(13-2)5-9-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyNPICPYHBBWKUGP-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.54
Rot. Bonds7

About [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid

[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid (PubChem CID 87440230) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid
PubChem CID87440230
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid
SMILESCOCCNC(CNC(=O)O)OC
InChIInChI=1S/C7H16N2O4/c1-12-4-3-8-6(13-2)5-9-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyNPICPYHBBWKUGP-UHFFFAOYSA-N
XLogP-0.54
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxyethylcarbamic acid
CID 18938836
2-hydroxy-3-(2-methoxyethylamino)butanedioic acid
CID 118539637
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
2-(2-methoxyethylamino)-3-methylhexanoic acid
CID 62542076
ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
CID 62540120
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
N-(2-methoxyethyl)-2-(2-methylbutylamino)propanamide
CID 62694565
(2-amino-3-methoxypropyl)carbamic acid;2,2,2-trifluoroacetic acid
CID 90114571
2-(2-methoxyethylamino)-4-methylsulfanylbutanoic acid
CID 62541222
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid?
The IUPAC name of [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid (CID 87440230) is [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid.
What is the SMILES notation for [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid?
The canonical SMILES for [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid is COCCNC(CNC(=O)O)OC.
What is the InChIKey of [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid?
The InChIKey is NPICPYHBBWKUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-12-4-3-8-6(13-2)5-9-7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid?
[2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid has a molecular weight of 192.21 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-(2-methoxyethylamino)ethyl]carbamic acid is sourced from PubChem (CID 87440230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).