propane;propyl (2S)-2-(methylamino)propanoate

C10H23NO2 — CID 171562611

IUPACpropane;propyl (2S)-2-(methylamino)propanoate
SMILESCCC.CCCOC(=O)[C@H](C)NC
InChIInChI=1S/C7H15NO2.C3H8/c1-4-5-10-7(9)6(2)8-3;1-3-2/h6,8H,4-5H2,1-3H3;3H2,1-2H3/t6-;/m0./s1
InChIKeyZQNKTOGHWHJKNE-RGMNGODLSA-N
MW189.30 g/mol
LogP1.96
Rot. Bonds4

About propane;propyl (2S)-2-(methylamino)propanoate

propane;propyl (2S)-2-(methylamino)propanoate (PubChem CID 171562611) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is propane;propyl (2S)-2-(methylamino)propanoate.

Molecular Properties

Compound Namepropane;propyl (2S)-2-(methylamino)propanoate
PubChem CID171562611
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Namepropane;propyl (2S)-2-(methylamino)propanoate
SMILESCCC.CCCOC(=O)[C@H](C)NC
InChIInChI=1S/C7H15NO2.C3H8/c1-4-5-10-7(9)6(2)8-3;1-3-2/h6,8H,4-5H2,1-3H3;3H2,1-2H3/t6-;/m0./s1
InChIKeyZQNKTOGHWHJKNE-RGMNGODLSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
CID 175427051
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
propyl 2-(chlorophosphanylamino)propanoate
CID 144766666
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
CID 163971647
propyl (2S)-2-chloropropanoate
CID 40565872
propyl (2R)-2-methylbutanoate
CID 86306230
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
amino (2S)-2-(methylamino)propanoate
CID 23546966
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
propyl 3-amino-2-methylpropanoate
CID 54192704

Frequently Asked Questions

What is the IUPAC name of propane;propyl (2S)-2-(methylamino)propanoate?
The IUPAC name of propane;propyl (2S)-2-(methylamino)propanoate (CID 171562611) is propane;propyl (2S)-2-(methylamino)propanoate.
What is the SMILES notation for propane;propyl (2S)-2-(methylamino)propanoate?
The canonical SMILES for propane;propyl (2S)-2-(methylamino)propanoate is CCC.CCCOC(=O)[C@H](C)NC.
What is the InChIKey of propane;propyl (2S)-2-(methylamino)propanoate?
The InChIKey is ZQNKTOGHWHJKNE-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO2.C3H8/c1-4-5-10-7(9)6(2)8-3;1-3-2/h6,8H,4-5H2,1-3H3;3H2,1-2H3/t6-;/m0./s1.
What are the key properties of propane;propyl (2S)-2-(methylamino)propanoate?
propane;propyl (2S)-2-(methylamino)propanoate has a molecular weight of 189.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propyl (2S)-2-(methylamino)propanoate is sourced from PubChem (CID 171562611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).