1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C14H27N3O4 — CID 103190203

IUPAC1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CC(OC)CC1C(=O)O)C(C)CN(C)C
InChIInChI=1S/C14H27N3O4/c1-6-16(10(2)8-15(3)4)14(20)17-9-11(21-5)7-12(17)13(18)19/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyNJBDNKNAEJHULR-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.55
Rot. Bonds6

About 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 103190203) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID103190203
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CC(OC)CC1C(=O)O)C(C)CN(C)C
InChIInChI=1S/C14H27N3O4/c1-6-16(10(2)8-15(3)4)14(20)17-9-11(21-5)7-12(17)13(18)19/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyNJBDNKNAEJHULR-UHFFFAOYSA-N
XLogP0.55
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 63700451
4-methoxy-1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63858464
1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61443374
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128
4-methoxy-1-(2-methylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115923907
4-methoxy-1-nonanoylpyrrolidine-2-carboxylic acid
CID 43359772
4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439869
(2R,4S)-4-methoxy-1-[2-(sulfanylmethyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 22819396
1-(2-aminohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61159250

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 103190203) is 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is CCN(C(=O)N1CC(OC)CC1C(=O)O)C(C)CN(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is NJBDNKNAEJHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-6-16(10(2)8-15(3)4)14(20)17-9-11(21-5)7-12(17)13(18)19/h10-12H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103190203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).