3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

C10H19N3O3 — CID 107324418

IUPAC3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)C(C)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-3-12-8(14)7(2)13-5-4-10(11,6-13)9(15)16/h7H,3-6,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGIIBRQWMSBUCSP-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.00
Rot. Bonds4

About 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 107324418) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID107324418
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)C(C)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-3-12-8(14)7(2)13-5-4-10(11,6-13)9(15)16/h7H,3-6,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGIIBRQWMSBUCSP-UHFFFAOYSA-N
XLogP-1.00
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324286
3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324285
3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
CID 107321408
3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324760
3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107325006
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728829
2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83070935
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
CID 63340654

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (CID 107324418) is 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is CCNC(=O)C(C)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is GIIBRQWMSBUCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-12-8(14)7(2)13-5-4-10(11,6-13)9(15)16/h7H,3-6,11H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).