methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate

C7H15NO3 — CID 106931964

IUPACmethyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
SMILESCOC(=O)C(C)NC[C@H](C)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-8-6(2)7(10)11-3/h5-6,8-9H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyRSSXTNNNDFXTOA-ZBHICJROSA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds4

About methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate

methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate (PubChem CID 106931964) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
PubChem CID106931964
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
SMILESCOC(=O)C(C)NC[C@H](C)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-8-6(2)7(10)11-3/h5-6,8-9H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyRSSXTNNNDFXTOA-ZBHICJROSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
CID 61499693
ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
CID 61498686

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate?
The IUPAC name of methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate (CID 106931964) is methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate is COC(=O)C(C)NC[C@H](C)O.
What is the InChIKey of methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate?
The InChIKey is RSSXTNNNDFXTOA-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)4-8-6(2)7(10)11-3/h5-6,8-9H,4H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate?
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate has a molecular weight of 161.20 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate is sourced from PubChem (CID 106931964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).