prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate

C10H20N2O2 — CID 18660161

IUPACprop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate
SMILESC=CCOC(=O)NC[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C10H20N2O2/c1-4-6-14-10(13)12-7-9(11)8(3)5-2/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyJZQGQQVBNLZRRK-DTWKUNHWSA-N
MW200.28 g/mol
LogP1.27
Rot. Bonds6

About prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate

prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate (PubChem CID 18660161) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate
PubChem CID18660161
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameprop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate
SMILESC=CCOC(=O)NC[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C10H20N2O2/c1-4-6-14-10(13)12-7-9(11)8(3)5-2/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyJZQGQQVBNLZRRK-DTWKUNHWSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
CID 141320398
(5-Aminopentyl)carbamic acid allyl ester
CID 16212936
prop-2-enyl N-pentylcarbamate
CID 21667330
prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 171612901
prop-2-enyl N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 239910
prop-2-enyl N-(2-ethylhexyl)carbamate
CID 101732721
prop-2-enyl N-(3-methylbutyl)carbamate
CID 127503408
Allyl (2-aminopropyl)carbamate
CID 11321103
prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride
CID 18660160
prop-2-enyl N-(2-amino-3-methylpentyl)carbamate;hydrochloride
CID 21834651
prop-2-enyl N-(2-amino-3-methylpentyl)carbamate
CID 21834652
Piperidin-3-YL-carbamic acid allyl ester
CID 53249823

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate?
The IUPAC name of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate (CID 18660161) is prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate is C=CCOC(=O)NC[C@@H](N)[C@@H](C)CC.
What is the InChIKey of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate?
The InChIKey is JZQGQQVBNLZRRK-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-6-14-10(13)12-7-9(11)8(3)5-2/h4,8-9H,1,5-7,11H2,2-3H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate?
prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate is sourced from PubChem (CID 18660161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).