(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid

C6H12N4O2 — CID 88570354

IUPAC(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid
SMILESC=C(C[C@H](N)C(=O)O)/N=C/NN
InChIInChI=1S/C6H12N4O2/c1-4(9-3-10-8)2-5(7)6(11)12/h3,5H,1-2,7-8H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyBBHAJHHOPVHTTL-YFKPBYRVSA-N
MW172.19 g/mol
LogP-1.21
Rot. Bonds5

About (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid

(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid (PubChem CID 88570354) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid
PubChem CID88570354
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid
SMILESC=C(C[C@H](N)C(=O)O)/N=C/NN
InChIInChI=1S/C6H12N4O2/c1-4(9-3-10-8)2-5(7)6(11)12/h3,5H,1-2,7-8H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyBBHAJHHOPVHTTL-YFKPBYRVSA-N
XLogP-1.21
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(hydrazinylmethylideneamino)butanoic acid
CID 3014815
2-aminobutanedioic acid;oxaldehydic acid
CID 146197472
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;selane
CID 174828111
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
2-amino-4-[(hydroxyamino)oxymethylideneamino]-4-oxobutanoic acid
CID 58503449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid?
The IUPAC name of (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid (CID 88570354) is (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid.
What is the SMILES notation for (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid?
The canonical SMILES for (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid is C=C(C[C@H](N)C(=O)O)/N=C/NN.
What is the InChIKey of (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid?
The InChIKey is BBHAJHHOPVHTTL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-4(9-3-10-8)2-5(7)6(11)12/h3,5H,1-2,7-8H2,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid?
(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid has a molecular weight of 172.19 g/mol, XLogP of -1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid is sourced from PubChem (CID 88570354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).