4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid

C13H25N3O3 — CID 64890132

IUPAC4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
SMILESCC(CNC(=O)C(N)CCC(=O)O)CN1CCCC1
InChIInChI=1S/C13H25N3O3/c1-10(9-16-6-2-3-7-16)8-15-13(19)11(14)4-5-12(17)18/h10-11H,2-9,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyHWRLORTVTXBAIS-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.03
Rot. Bonds8

About 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid

4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid (PubChem CID 64890132) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
PubChem CID64890132
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid
SMILESCC(CNC(=O)C(N)CCC(=O)O)CN1CCCC1
InChIInChI=1S/C13H25N3O3/c1-10(9-16-6-2-3-7-16)8-15-13(19)11(14)4-5-12(17)18/h10-11H,2-9,14H2,1H3,(H,15,19)(H,17,18)
InChIKeyHWRLORTVTXBAIS-UHFFFAOYSA-N
XLogP0.03
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid (CID 64890132) is 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid is CC(CNC(=O)C(N)CCC(=O)O)CN1CCCC1.
What is the InChIKey of 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid?
The InChIKey is HWRLORTVTXBAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(9-16-6-2-3-7-16)8-15-13(19)11(14)4-5-12(17)18/h10-11H,2-9,14H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid?
4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).