methyl (2S)-2-(propylamino)pentanoate

C9H19NO2 — CID 141145827

IUPACmethyl (2S)-2-(propylamino)pentanoate
SMILESCCCN[C@@H](CCC)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-6-8(9(11)12-3)10-7-5-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyPPGLUVAISWBRKY-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds6

About methyl (2S)-2-(propylamino)pentanoate

methyl (2S)-2-(propylamino)pentanoate (PubChem CID 141145827) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl (2S)-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(propylamino)pentanoate
PubChem CID141145827
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl (2S)-2-(propylamino)pentanoate
SMILESCCCN[C@@H](CCC)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-4-6-8(9(11)12-3)10-7-5-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyPPGLUVAISWBRKY-QMMMGPOBSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(propylamino)pentanoate
CID 60795873
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl 2-(propylamino)octanoate
CID 60795997
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl 7-amino-6-(methylamino)-7-oxo-2-(propylamino)heptanoate
CID 66222372
methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
CID 55144533
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
CID 79183530
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(propylamino)pentanoate?
The IUPAC name of methyl (2S)-2-(propylamino)pentanoate (CID 141145827) is methyl (2S)-2-(propylamino)pentanoate.
What is the SMILES notation for methyl (2S)-2-(propylamino)pentanoate?
The canonical SMILES for methyl (2S)-2-(propylamino)pentanoate is CCCN[C@@H](CCC)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(propylamino)pentanoate?
The InChIKey is PPGLUVAISWBRKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-8(9(11)12-3)10-7-5-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(propylamino)pentanoate?
methyl (2S)-2-(propylamino)pentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(propylamino)pentanoate is sourced from PubChem (CID 141145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).