1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 22323010

IUPAC1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCCCNC(=O)C(C)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-5-12-10(14)8(2)13-6-4-9(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyZKXXFGIMSNVYGE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds5

About 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid

1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 22323010) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID22323010
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCCCNC(=O)C(C)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-5-12-10(14)8(2)13-6-4-9(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyZKXXFGIMSNVYGE-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 11206225
Aspartylvaline
CID 4991131
rac-(3R,4R)-4-amino-1-((tert-butoxy)carbonyl)pyrrolidine-3-carboxylic acid
CID 44272289
(3S,4S)-4-amino-1-[ethyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 503253
4-Amino-1-(ethyl-isopropyl-carbamoyl)-pyrrolidine-3-carboxylic acid
CID 505893
(3S,4S)-4-amino-1-(diisopropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278232
4-Amino-1-diisopropylcarbamoyl-pyrrolidine-3-carboxylic acid
CID 44272318
(3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 492445
4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 503252
Asp-Val
CID 7009616
(2S)-2-(4-methoxycarbonyl-2-oxo-1-pyrrolidinyl)butanamide
CID 44367383
1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 44367692

Frequently Asked Questions

What is the IUPAC name of 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid (CID 22323010) is 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid is CCCNC(=O)C(C)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZKXXFGIMSNVYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-12-10(14)8(2)13-6-4-9(7-13)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid?
1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22323010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).