4-(methoxycarbonylamino)butylcarbamic acid

C7H14N2O4 — CID 139823188

IUPAC4-(methoxycarbonylamino)butylcarbamic acid
SMILESCOC(=O)NCCCCNC(=O)O
InChIInChI=1S/C7H14N2O4/c1-13-7(12)9-5-3-2-4-8-6(10)11/h8H,2-5H2,1H3,(H,9,12)(H,10,11)
InChIKeyFHZSSERGYLTAHR-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.39
Rot. Bonds5

About 4-(methoxycarbonylamino)butylcarbamic acid

4-(methoxycarbonylamino)butylcarbamic acid (PubChem CID 139823188) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(methoxycarbonylamino)butylcarbamic acid.

Molecular Properties

Compound Name4-(methoxycarbonylamino)butylcarbamic acid
PubChem CID139823188
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name4-(methoxycarbonylamino)butylcarbamic acid
SMILESCOC(=O)NCCCCNC(=O)O
InChIInChI=1S/C7H14N2O4/c1-13-7(12)9-5-3-2-4-8-6(10)11/h8H,2-5H2,1H3,(H,9,12)(H,10,11)
InChIKeyFHZSSERGYLTAHR-UHFFFAOYSA-N
XLogP0.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
4-trimethoxysilylbutylcarbamic acid
CID 18755644
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
methyl N-hex-5-ynylcarbamate
CID 103758218
methyl N-(3-aminooxypropyl)carbamate
CID 59658343
3-(propoxycarbonylamino)propylcarbamic acid
CID 139823184

Frequently Asked Questions

What is the IUPAC name of 4-(methoxycarbonylamino)butylcarbamic acid?
The IUPAC name of 4-(methoxycarbonylamino)butylcarbamic acid (CID 139823188) is 4-(methoxycarbonylamino)butylcarbamic acid.
What is the SMILES notation for 4-(methoxycarbonylamino)butylcarbamic acid?
The canonical SMILES for 4-(methoxycarbonylamino)butylcarbamic acid is COC(=O)NCCCCNC(=O)O.
What is the InChIKey of 4-(methoxycarbonylamino)butylcarbamic acid?
The InChIKey is FHZSSERGYLTAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-13-7(12)9-5-3-2-4-8-6(10)11/h8H,2-5H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 4-(methoxycarbonylamino)butylcarbamic acid?
4-(methoxycarbonylamino)butylcarbamic acid has a molecular weight of 190.20 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxycarbonylamino)butylcarbamic acid is sourced from PubChem (CID 139823188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).