4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid

C6H12N4O4 — CID 139469955

IUPAC4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid
SMILESNNC(=O)C(CCC(=O)O)NC(N)=O
InChIInChI=1S/C6H12N4O4/c7-6(14)9-3(5(13)10-8)1-2-4(11)12/h3H,1-2,8H2,(H,10,13)(H,11,12)(H3,7,9,14)
InChIKeyMPADCIRSZJIZDN-UHFFFAOYSA-N
MW204.19 g/mol
LogP-2.12
Rot. Bonds5

About 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid

4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid (PubChem CID 139469955) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid
PubChem CID139469955
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid
SMILESNNC(=O)C(CCC(=O)O)NC(N)=O
InChIInChI=1S/C6H12N4O4/c7-6(14)9-3(5(13)10-8)1-2-4(11)12/h3H,1-2,8H2,(H,10,13)(H,11,12)(H3,7,9,14)
InChIKeyMPADCIRSZJIZDN-UHFFFAOYSA-N
XLogP-2.12
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
CID 137467884
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
CID 82683429
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
4-amino-5-[[5-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18220251
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 67053722
(4S)-5-amino-4-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-(prop-2-enoylamino)butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid
CID 102404280
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 166997811

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid?
The IUPAC name of 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid (CID 139469955) is 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid.
What is the SMILES notation for 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid?
The canonical SMILES for 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid is NNC(=O)C(CCC(=O)O)NC(N)=O.
What is the InChIKey of 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid?
The InChIKey is MPADCIRSZJIZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O4/c7-6(14)9-3(5(13)10-8)1-2-4(11)12/h3H,1-2,8H2,(H,10,13)(H,11,12)(H3,7,9,14).
What are the key properties of 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid?
4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid has a molecular weight of 204.19 g/mol, XLogP of -2.12, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid is sourced from PubChem (CID 139469955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).