methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate

C9H16N2O4 — CID 79162041

IUPACmethyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)N1CCCC1
InChIInChI=1S/C9H16N2O4/c1-15-8(13)7(6-12)10-9(14)11-4-2-3-5-11/h7,12H,2-6H2,1H3,(H,10,14)
InChIKeyNUFVOTRNUXWMPE-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.67
Rot. Bonds3

About methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate

methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate (PubChem CID 79162041) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
PubChem CID79162041
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)N1CCCC1
InChIInChI=1S/C9H16N2O4/c1-15-8(13)7(6-12)10-9(14)11-4-2-3-5-11/h7,12H,2-6H2,1H3,(H,10,14)
InChIKeyNUFVOTRNUXWMPE-UHFFFAOYSA-N
XLogP-0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 55003085
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715442
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972
ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate
CID 58602905
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate (CID 79162041) is methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate is COC(=O)C(CO)NC(=O)N1CCCC1.
What is the InChIKey of methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate?
The InChIKey is NUFVOTRNUXWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-15-8(13)7(6-12)10-9(14)11-4-2-3-5-11/h7,12H,2-6H2,1H3,(H,10,14).
What are the key properties of methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate?
methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate has a molecular weight of 216.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate is sourced from PubChem (CID 79162041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).