4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid

C10H19N3O3 — CID 64888566

IUPAC4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
SMILESCN1CCC(NC(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-13-5-4-7(6-13)12-10(16)8(11)2-3-9(14)15/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyZRWUCTQPRCNBSW-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.00
Rot. Bonds5

About 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid

4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid (PubChem CID 64888566) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
PubChem CID64888566
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
SMILESCN1CCC(NC(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-13-5-4-7(6-13)12-10(16)8(11)2-3-9(14)15/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15)
InChIKeyZRWUCTQPRCNBSW-UHFFFAOYSA-N
XLogP-1.00
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
CID 64896395
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid (CID 64888566) is 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid is CN1CCC(NC(=O)C(N)CCC(=O)O)C1.
What is the InChIKey of 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is ZRWUCTQPRCNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13-5-4-7(6-13)12-10(16)8(11)2-3-9(14)15/h7-8H,2-6,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 229.28 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64888566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).