3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid

C13H20N2O5 — CID 122018135

IUPAC3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCOC(=O)[C@H]1CN(C(=O)NCCC(=O)O)C[C@@H]1C1CC1
InChIInChI=1S/C13H20N2O5/c1-20-12(18)10-7-15(6-9(10)8-2-3-8)13(19)14-5-4-11(16)17/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)/t9-,10+/m1/s1
InChIKeyIEFZLJJYMSTXHZ-ZJUUUORDSA-N
MW284.31 g/mol
LogP0.30
Rot. Bonds5

About 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid

3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 122018135) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID122018135
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCOC(=O)[C@H]1CN(C(=O)NCCC(=O)O)C[C@@H]1C1CC1
InChIInChI=1S/C13H20N2O5/c1-20-12(18)10-7-15(6-9(10)8-2-3-8)13(19)14-5-4-11(16)17/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)/t9-,10+/m1/s1
InChIKeyIEFZLJJYMSTXHZ-ZJUUUORDSA-N
XLogP0.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 122022397
1-O-tert-butyl 3-O-methyl 4-cyclopropylpyrrolidine-1,3-dicarboxylate
CID 68646619
3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
CID 122017931
4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide
CID 156611174
3-[(2-methoxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)amino]propanoic acid
CID 122018148
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885
(3S,4S)-4-cyclopropyl-1-[(4-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 146142170
3-[(3-methylsulfanylazepane-1-carbonyl)amino]propanoic acid
CID 122018468
3-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]propanoic acid
CID 122018365
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
methyl 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoate
CID 73402042
3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018006

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid (CID 122018135) is 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid is COC(=O)[C@H]1CN(C(=O)NCCC(=O)O)C[C@@H]1C1CC1.
What is the InChIKey of 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is IEFZLJJYMSTXHZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-20-12(18)10-7-15(6-9(10)8-2-3-8)13(19)14-5-4-11(16)17/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)/t9-,10+/m1/s1.
What are the key properties of 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid?
3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R,4R)-3-cyclopropyl-4-methoxycarbonylpyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).