methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride

C5H13ClN2O2 — CID 155858343

IUPACmethyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride
SMILESCOC(=O)N[C@H](C)CN.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(3-6)7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyDTVBZYSSZUCODC-PGMHMLKASA-N
MW168.62 g/mol
LogP0.11
Rot. Bonds2

About methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride

methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride (PubChem CID 155858343) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride
PubChem CID155858343
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Namemethyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride
SMILESCOC(=O)N[C@H](C)CN.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(3-6)7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m1./s1
InChIKeyDTVBZYSSZUCODC-PGMHMLKASA-N
XLogP0.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride?
The IUPAC name of methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride (CID 155858343) is methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride is COC(=O)N[C@H](C)CN.Cl.
What is the InChIKey of methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride?
The InChIKey is DTVBZYSSZUCODC-PGMHMLKASA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-4(3-6)7-5(8)9-2;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m1./s1.
What are the key properties of methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride?
methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-aminopropan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 155858343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).