2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate

C9H20N2O3 — CID 106181066

IUPAC2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
SMILESCOCC(CN)NC(=O)OCC(C)C
InChIInChI=1S/C9H20N2O3/c1-7(2)5-14-9(12)11-8(4-10)6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyPSXACRWUBVJIDN-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.34
Rot. Bonds6

About 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate

2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate (PubChem CID 106181066) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
PubChem CID106181066
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
SMILESCOCC(CN)NC(=O)OCC(C)C
InChIInChI=1S/C9H20N2O3/c1-7(2)5-14-9(12)11-8(4-10)6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyPSXACRWUBVJIDN-UHFFFAOYSA-N
XLogP0.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3136028
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tert-butyl ((3R,4S)-4-aminotetrahydrofuran-3-yl)carbamate
CID 90436776
tert-butyl N-[(2R)-2-amino-3-methoxypropyl]carbamate
CID 16038809
tert-butyl N-((2S)-2-amino-3-methoxypropyl)carbamate
CID 45092015
tert-butyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 45092031
tert-butyl N-((2R)-1-amino-3-methoxypropan-2-yl)carbamate
CID 59199768
tert-butyl N-[(2R)-1-amino-3-hydroxypropan-2-yl]carbamate
CID 82669604
tert-butyl N-((2R)-1-amino-3-ethoxypropan-2-yl)carbamate
CID 86654723
tert-butyl N-(1-amino-3-hydroxypropan-2-yl)carbamate
CID 86731719
tert-butyl N-[(2S)-1-amino-3-methoxypropan-2-yl]carbamate
CID 90354300
Ethyl-carbamic acid 2-isobutoxycarbonylamino-butyl ester
CID 3115351

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate (CID 106181066) is 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate is COCC(CN)NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
The InChIKey is PSXACRWUBVJIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)5-14-9(12)11-8(4-10)6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate?
2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 106181066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).