methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate

C12H22N2O3 — CID 63142586

IUPACmethyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCCCC1(C(=O)NC(C)C(=O)OC)CCNC1
InChIInChI=1S/C12H22N2O3/c1-4-5-12(6-7-13-8-12)11(16)14-9(2)10(15)17-3/h9,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyVJZXKSNPXKWKNC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds5

About methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate

methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 63142586) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
PubChem CID63142586
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
SMILESCCCC1(C(=O)NC(C)C(=O)OC)CCNC1
InChIInChI=1S/C12H22N2O3/c1-4-5-12(6-7-13-8-12)11(16)14-9(2)10(15)17-3/h9,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyVJZXKSNPXKWKNC-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63130841
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 107824578
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
CID 106230204
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
CID 63128141
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate (CID 63142586) is methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate is CCCC1(C(=O)NC(C)C(=O)OC)CCNC1.
What is the InChIKey of methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is VJZXKSNPXKWKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-5-12(6-7-13-8-12)11(16)14-9(2)10(15)17-3/h9,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate?
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 63142586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).