5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid

C11H19N3O4 — CID 61156701

IUPAC5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)CCNC1CC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c12-9(15)4-3-8(11(17)18)14-10(16)5-6-13-7-1-2-7/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyWHVYKKHSNPJZSH-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.04
Rot. Bonds9

About 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid

5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid (PubChem CID 61156701) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
PubChem CID61156701
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)CCNC1CC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c12-9(15)4-3-8(11(17)18)14-10(16)5-6-13-7-1-2-7/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeyWHVYKKHSNPJZSH-UHFFFAOYSA-N
XLogP-1.04
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid
CID 61158477
2-[3-(cyclopropylamino)propanoylamino]-4-phenylbutanoic acid
CID 114917573
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
CID 61160783
(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid
CID 170287274
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
20-[(4-amino-1-carboxy-4-oxobutyl)amino]-20-oxoicosanoic acid
CID 88943806
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid (CID 61156701) is 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)CCNC1CC1)C(=O)O.
What is the InChIKey of 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid?
The InChIKey is WHVYKKHSNPJZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-9(15)4-3-8(11(17)18)14-10(16)5-6-13-7-1-2-7/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid?
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.04, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61156701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).