4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid

C14H25N5O7 — CID 172602566

IUPAC4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid
SMILESCNNC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCCNC=O
InChIInChI=1S/C14H25N5O7/c1-15-19-10(3-5-12(23)24)14(26)18-9(2-4-11(21)22)13(25)17-7-6-16-8-20/h8-10,15,19H,2-7H2,1H3,(H,16,20)(H,17,25)(H,18,26)(H,21,22)(H,23,24)
InChIKeyVDEFNRFMSJIOTF-UHFFFAOYSA-N
MW375.38 g/mol
LogP-2.84
Rot. Bonds15

About 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid

4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid (PubChem CID 172602566) has the molecular formula C14H25N5O7 and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid
PubChem CID172602566
Molecular FormulaC14H25N5O7
Molecular Weight375.38 g/mol
Exact Mass375.18
IUPAC Name4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid
SMILESCNNC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCCNC=O
InChIInChI=1S/C14H25N5O7/c1-15-19-10(3-5-12(23)24)14(26)18-9(2-4-11(21)22)13(25)17-7-6-16-8-20/h8-10,15,19H,2-7H2,1H3,(H,16,20)(H,17,25)(H,18,26)(H,21,22)(H,23,24)
InChIKeyVDEFNRFMSJIOTF-UHFFFAOYSA-N
XLogP-2.84
TPSA185.96 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 5-2.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid with MolForge

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Related Compounds

(4S)-5-[(1-carboxy-2-formamidoethyl)amino]-4-(methylamino)-5-oxopentanoic acid
CID 166852820
5-(2-acetamidoethylamino)-4-[[5-methoxy-2-(methylamino)-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 174184455
6-(methylamino)-2-(2-methylhydrazinyl)-N-(2-oxoethyl)hexanamide
CID 166964502
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
(2S)-2,6-bis[[(2S)-4-carboxy-2-(tetradecanoylamino)butanoyl]amino]hexanoic acid
CID 102099724
5-[[4-carboxy-1-[6-(dodecanoylamino)hexylamino]-1-oxobutan-2-yl]amino]-5-oxo-4-(propylamino)pentanoic acid
CID 166081969
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
(4S)-5-[2-[[(2S)-3-amino-2-(methylamino)propanoyl]amino]ethylamino]-4-(methylamino)-5-oxopentanoic acid;ethane
CID 144903460
4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid
CID 155353905
5-(2-hydroxyethylamino)-4-[[2-(methylamino)acetyl]amino]-5-oxopentanoic acid
CID 177369489
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-3-carboxy-1-oxo-1-(2-oxoethylamino)propan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 77068220

Frequently Asked Questions

What is the IUPAC name of 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid?
The IUPAC name of 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid (CID 172602566) is 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid is CNNC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCCNC=O.
What is the InChIKey of 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid?
The InChIKey is VDEFNRFMSJIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O7/c1-15-19-10(3-5-12(23)24)14(26)18-9(2-4-11(21)22)13(25)17-7-6-16-8-20/h8-10,15,19H,2-7H2,1H3,(H,16,20)(H,17,25)(H,18,26)(H,21,22)(H,23,24).
What are the key properties of 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid?
4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid has a molecular weight of 375.38 g/mol, XLogP of -2.84, 15 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-carboxy-2-(2-methylhydrazinyl)butanoyl]amino]-5-(2-formamidoethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 172602566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).