methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate

C9H17NO4 — CID 170372518

IUPACmethyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)CC[C@@H](O)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-3-6-10-8(12)5-4-7(11)9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyRLCADFAQUBWJLE-SSDOTTSWSA-N
MW203.24 g/mol
LogP-0.17
Rot. Bonds6

About methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate

methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate (PubChem CID 170372518) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
PubChem CID170372518
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)CC[C@@H](O)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-3-6-10-8(12)5-4-7(11)9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyRLCADFAQUBWJLE-SSDOTTSWSA-N
XLogP-0.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-N-propylpentanamide
CID 146234117
methyl 2-hydroxypentanoate
CID 543619
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
methyl (2S)-2-hydroxyheptanoate
CID 71444954
3-[methyl(propan-2-yl)amino]-N-propylpropanamide
CID 170366588
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
N,N'-dipropyldecanediamide
CID 102239298

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate?
The IUPAC name of methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate (CID 170372518) is methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate?
The canonical SMILES for methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate is CCCNC(=O)CC[C@@H](O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate?
The InChIKey is RLCADFAQUBWJLE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-6-10-8(12)5-4-7(11)9(13)14-2/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate?
methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate has a molecular weight of 203.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate is sourced from PubChem (CID 170372518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).