(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C19H31N3O7 — CID 54367996

IUPAC(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN(CCC(=O)N1CCC[C@@H]1C(=O)O)CCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H31N3O7/c1-29-13-12-20(10-6-16(23)21-8-2-4-14(21)18(25)26)11-7-17(24)22-9-3-5-15(22)19(27)28/h14-15H,2-13H2,1H3,(H,25,26)(H,27,28)/t14-,15-/m1/s1
InChIKeyURDHLLRCJCZPGL-HUUCEWRRSA-N
MW413.47 g/mol
LogP-0.13
Rot. Bonds11

About (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 54367996) has the molecular formula C19H31N3O7 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID54367996
Molecular FormulaC19H31N3O7
Molecular Weight413.47 g/mol
Exact Mass413.22
IUPAC Name(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCN(CCC(=O)N1CCC[C@@H]1C(=O)O)CCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C19H31N3O7/c1-29-13-12-20(10-6-16(23)21-8-2-4-14(21)18(25)26)11-7-17(24)22-9-3-5-15(22)19(27)28/h14-15H,2-13H2,1H3,(H,25,26)(H,27,28)/t14-,15-/m1/s1
InChIKeyURDHLLRCJCZPGL-HUUCEWRRSA-N
XLogP-0.13
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2R)-1-[2-(2-methoxyethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921993
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119372155
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54059243
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 54367996) is (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is COCCN(CCC(=O)N1CCC[C@@H]1C(=O)O)CCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is URDHLLRCJCZPGL-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H31N3O7/c1-29-13-12-20(10-6-16(23)21-8-2-4-14(21)18(25)26)11-7-17(24)22-9-3-5-15(22)19(27)28/h14-15H,2-13H2,1H3,(H,25,26)(H,27,28)/t14-,15-/m1/s1.
What are the key properties of (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 413.47 g/mol, XLogP of -0.13, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54367996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).