2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate

C9H20N2O3 — CID 64541260

IUPAC2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
SMILESCC(C)COC(=O)NCC(N)C(C)O
InChIInChI=1S/C9H20N2O3/c1-6(2)5-14-9(13)11-4-8(10)7(3)12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyZJLOMYJHTCSGCB-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.08
Rot. Bonds5

About 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate

2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate (PubChem CID 64541260) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
PubChem CID64541260
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
SMILESCC(C)COC(=O)NCC(N)C(C)O
InChIInChI=1S/C9H20N2O3/c1-6(2)5-14-9(13)11-4-8(10)7(3)12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyZJLOMYJHTCSGCB-UHFFFAOYSA-N
XLogP0.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
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-amino-3-phenylpropyl)carbamate
CID 90766727
1-(2-amino-3-hydroxybutyl)-3-ethylurea
CID 64541484
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
2-methylpropyl N-hydroxycarbamate
CID 22467

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate (CID 64541260) is 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate is CC(C)COC(=O)NCC(N)C(C)O.
What is the InChIKey of 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate?
The InChIKey is ZJLOMYJHTCSGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-6(2)5-14-9(13)11-4-8(10)7(3)12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate?
2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate is sourced from PubChem (CID 64541260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).