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

C10H21ClN2O2 — CID 18660160

IUPACprop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride
SMILESC=CCOC(=O)NC[C@@H](N)[C@@H](C)CC.Cl
InChIInChI=1S/C10H20N2O2.ClH/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);1H/t8-,9+;/m0./s1
InChIKeyPCXOKBBIWZSUEF-OULXEKPRSA-N
MW236.74 g/mol
LogP1.69
Rot. Bonds6

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

prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride (PubChem CID 18660160) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride
PubChem CID18660160
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nameprop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride
SMILESC=CCOC(=O)NC[C@@H](N)[C@@H](C)CC.Cl
InChIInChI=1S/C10H20N2O2.ClH/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);1H/t8-,9+;/m0./s1
InChIKeyPCXOKBBIWZSUEF-OULXEKPRSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride?
The IUPAC name of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride (CID 18660160) is prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride.
What is the SMILES notation for prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride?
The canonical SMILES for prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride is C=CCOC(=O)NC[C@@H](N)[C@@H](C)CC.Cl.
What is the InChIKey of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride?
The InChIKey is PCXOKBBIWZSUEF-OULXEKPRSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/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);1H/t8-,9+;/m0./s1.
What are the key properties of prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride?
prop-2-enyl N-[(2S,3S)-2-amino-3-methylpentyl]carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.69, 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;hydrochloride is sourced from PubChem (CID 18660160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).