2-methylpropyl N-(2-hydroxypropyl)carbamate

C8H17NO3 — CID 43427881

IUPAC2-methylpropyl N-(2-hydroxypropyl)carbamate
SMILESCC(C)COC(=O)NCC(C)O
InChIInChI=1S/C8H17NO3/c1-6(2)5-12-8(11)9-4-7(3)10/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyHKFRMOBXGKARTH-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.75
Rot. Bonds4

About 2-methylpropyl N-(2-hydroxypropyl)carbamate

2-methylpropyl N-(2-hydroxypropyl)carbamate (PubChem CID 43427881) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methylpropyl N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-hydroxypropyl)carbamate
PubChem CID43427881
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-methylpropyl N-(2-hydroxypropyl)carbamate
SMILESCC(C)COC(=O)NCC(C)O
InChIInChI=1S/C8H17NO3/c1-6(2)5-12-8(11)9-4-7(3)10/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyHKFRMOBXGKARTH-UHFFFAOYSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028
2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
CID 64541260
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-hydroxycarbamate
CID 22467
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-hydroxypropyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-hydroxypropyl)carbamate (CID 43427881) is 2-methylpropyl N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-hydroxypropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-hydroxypropyl)carbamate is CC(C)COC(=O)NCC(C)O.
What is the InChIKey of 2-methylpropyl N-(2-hydroxypropyl)carbamate?
The InChIKey is HKFRMOBXGKARTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)5-12-8(11)9-4-7(3)10/h6-7,10H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 2-methylpropyl N-(2-hydroxypropyl)carbamate?
2-methylpropyl N-(2-hydroxypropyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 43427881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).