[4-(methoxymethylamino)-4-oxobutyl]carbamic acid

C7H14N2O4 — CID 87833831

IUPAC[4-(methoxymethylamino)-4-oxobutyl]carbamic acid
SMILESCOCNC(=O)CCCNC(=O)O
InChIInChI=1S/C7H14N2O4/c1-13-5-9-6(10)3-2-4-8-7(11)12/h8H,2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyYHKJHWTVOLUXBD-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.25
Rot. Bonds6

About [4-(methoxymethylamino)-4-oxobutyl]carbamic acid

[4-(methoxymethylamino)-4-oxobutyl]carbamic acid (PubChem CID 87833831) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is [4-(methoxymethylamino)-4-oxobutyl]carbamic acid.

Molecular Properties

Compound Name[4-(methoxymethylamino)-4-oxobutyl]carbamic acid
PubChem CID87833831
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name[4-(methoxymethylamino)-4-oxobutyl]carbamic acid
SMILESCOCNC(=O)CCCNC(=O)O
InChIInChI=1S/C7H14N2O4/c1-13-5-9-6(10)3-2-4-8-7(11)12/h8H,2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyYHKJHWTVOLUXBD-UHFFFAOYSA-N
XLogP-0.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669
N-(methoxymethyl)hexadecanamide
CID 59805196
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
N-(methoxymethyl)-3-[3-(methoxymethylamino)-3-oxopropoxy]propanamide
CID 163884535
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
[3-(methoxymethylamino)-3-oxopropyl] carbamate
CID 22489108
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
4-trimethoxysilylbutylcarbamic acid
CID 18755644
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
butylcarbamic acid
CID 3026651

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethylamino)-4-oxobutyl]carbamic acid?
The IUPAC name of [4-(methoxymethylamino)-4-oxobutyl]carbamic acid (CID 87833831) is [4-(methoxymethylamino)-4-oxobutyl]carbamic acid.
What is the SMILES notation for [4-(methoxymethylamino)-4-oxobutyl]carbamic acid?
The canonical SMILES for [4-(methoxymethylamino)-4-oxobutyl]carbamic acid is COCNC(=O)CCCNC(=O)O.
What is the InChIKey of [4-(methoxymethylamino)-4-oxobutyl]carbamic acid?
The InChIKey is YHKJHWTVOLUXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-13-5-9-6(10)3-2-4-8-7(11)12/h8H,2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of [4-(methoxymethylamino)-4-oxobutyl]carbamic acid?
[4-(methoxymethylamino)-4-oxobutyl]carbamic acid has a molecular weight of 190.20 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethylamino)-4-oxobutyl]carbamic acid is sourced from PubChem (CID 87833831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).