methyl N-[4-(methoxycarbonylamino)butyl]carbamate

C8H16N2O4 — CID 2255932

IUPACmethyl N-[4-(methoxycarbonylamino)butyl]carbamate
SMILESCOC(=O)NCCCCNC(=O)OC
InChIInChI=1S/C8H16N2O4/c1-13-7(11)9-5-3-4-6-10-8(12)14-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyOQNSLWFDULDLQM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.48
Rot. Bonds5

About methyl N-[4-(methoxycarbonylamino)butyl]carbamate

methyl N-[4-(methoxycarbonylamino)butyl]carbamate (PubChem CID 2255932) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl N-[4-(methoxycarbonylamino)butyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(methoxycarbonylamino)butyl]carbamate
PubChem CID2255932
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namemethyl N-[4-(methoxycarbonylamino)butyl]carbamate
SMILESCOC(=O)NCCCCNC(=O)OC
InChIInChI=1S/C8H16N2O4/c1-13-7(11)9-5-3-4-6-10-8(12)14-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyOQNSLWFDULDLQM-UHFFFAOYSA-N
XLogP0.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
methyl N-hex-5-ynylcarbamate
CID 103758218
methyl N-(3-aminooxypropyl)carbamate
CID 59658343
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
methyl 2-chloro-6-(methoxycarbonylamino)hexanoate
CID 131859175

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(methoxycarbonylamino)butyl]carbamate?
The IUPAC name of methyl N-[4-(methoxycarbonylamino)butyl]carbamate (CID 2255932) is methyl N-[4-(methoxycarbonylamino)butyl]carbamate.
What is the SMILES notation for methyl N-[4-(methoxycarbonylamino)butyl]carbamate?
The canonical SMILES for methyl N-[4-(methoxycarbonylamino)butyl]carbamate is COC(=O)NCCCCNC(=O)OC.
What is the InChIKey of methyl N-[4-(methoxycarbonylamino)butyl]carbamate?
The InChIKey is OQNSLWFDULDLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-13-7(11)9-5-3-4-6-10-8(12)14-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of methyl N-[4-(methoxycarbonylamino)butyl]carbamate?
methyl N-[4-(methoxycarbonylamino)butyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(methoxycarbonylamino)butyl]carbamate is sourced from PubChem (CID 2255932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).