methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate

C8H14N2O4 — CID 123693548

IUPACmethyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C(=O)N(C)O)CN1
InChIInChI=1S/C8H14N2O4/c1-10(13)7(11)5-3-6(9-4-5)8(12)14-2/h5-6,9,13H,3-4H2,1-2H3
InChIKeyFMLWHYVUWFENMI-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.01
Rot. Bonds2

About methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate

methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 123693548) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate
PubChem CID123693548
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C(=O)N(C)O)CN1
InChIInChI=1S/C8H14N2O4/c1-10(13)7(11)5-3-6(9-4-5)8(12)14-2/h5-6,9,13H,3-4H2,1-2H3
InChIKeyFMLWHYVUWFENMI-UHFFFAOYSA-N
XLogP-1.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,4S)-4-(dimethylamino)pyrrolidine-2-carboxylate
CID 66880559
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768
methyl (2S)-4-iodopyrrolidine-2-carboxylate
CID 70651228
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
methyl (2S,4R)-4-sulfanylpyrrolidine-2-carboxylate
CID 137346896
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate
CID 14036227
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
CID 143889099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate (CID 123693548) is methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(C(=O)N(C)O)CN1.
What is the InChIKey of methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is FMLWHYVUWFENMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-10(13)7(11)5-3-6(9-4-5)8(12)14-2/h5-6,9,13H,3-4H2,1-2H3.
What are the key properties of methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate?
methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 202.21 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 123693548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).