methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate

C11H20N2O4 — CID 54871877

IUPACmethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CC(O)CN1
InChIInChI=1S/C11H20N2O4/c1-3-4-13(7-10(15)17-2)11(16)9-5-8(14)6-12-9/h8-9,12,14H,3-7H2,1-2H3
InChIKeyQEYCTPSWETVDCH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.88
Rot. Bonds5

About methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate

methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate (PubChem CID 54871877) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
PubChem CID54871877
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CC(O)CN1
InChIInChI=1S/C11H20N2O4/c1-3-4-13(7-10(15)17-2)11(16)9-5-8(14)6-12-9/h8-9,12,14H,3-7H2,1-2H3
InChIKeyQEYCTPSWETVDCH-UHFFFAOYSA-N
XLogP-0.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-4-hydroxy-N,N-dipropylpyrrolidine-2-carboxamide;hydrochloride
CID 120552956
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 54871203
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 43588844
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
N-(2-amino-2-oxoethyl)-4-hydroxy-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60963717
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
4-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 82948394

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate (CID 54871877) is methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)C1CC(O)CN1.
What is the InChIKey of methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate?
The InChIKey is QEYCTPSWETVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-13(7-10(15)17-2)11(16)9-5-8(14)6-12-9/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate?
methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propylamino]acetate is sourced from PubChem (CID 54871877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).