propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride

C7H17ClN2O2 — CID 154776096

IUPACpropan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
SMILESCNC[C@H](N)C(=O)OC(C)C.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-5(2)11-7(10)6(8)4-9-3;/h5-6,9H,4,8H2,1-3H3;1H/t6-;/m0./s1
InChIKeyYBRRVPLMKZMHJF-RGMNGODLSA-N
MW196.68 g/mol
LogP-0.09
Rot. Bonds4

About propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride

propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride (PubChem CID 154776096) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
PubChem CID154776096
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC Namepropan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
SMILESCNC[C@H](N)C(=O)OC(C)C.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-5(2)11-7(10)6(8)4-9-3;/h5-6,9H,4,8H2,1-3H3;1H/t6-;/m0./s1
InChIKeyYBRRVPLMKZMHJF-RGMNGODLSA-N
XLogP-0.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-amino-3-(methylamino)propanoate
CID 59103878
propan-2-yl 2,3-diaminopropanoate
CID 141295176
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate;hydrochloride
CID 119787714
1-(methylamino)propan-2-yl propan-2-yl carbonate
CID 79337104
propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate
CID 146692452
propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
CID 15952503
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
CID 119787715
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride?
The IUPAC name of propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride (CID 154776096) is propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride?
The canonical SMILES for propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride is CNC[C@H](N)C(=O)OC(C)C.Cl.
What is the InChIKey of propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride?
The InChIKey is YBRRVPLMKZMHJF-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-5(2)11-7(10)6(8)4-9-3;/h5-6,9H,4,8H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride?
propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 154776096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).