(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid

C10H19N3O2 — CID 57205815

IUPAC(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
SMILESC=CC/C(N)=N\CCC(C)[C@H](N)C(=O)O
InChIInChI=1S/C10H19N3O2/c1-3-4-8(11)13-6-5-7(2)9(12)10(14)15/h3,7,9H,1,4-6,12H2,2H3,(H2,11,13)(H,14,15)/t7?,9-/m0/s1
InChIKeyUYIKRXFVYFTVRT-NETXQHHPSA-N
MW213.28 g/mol
LogP0.36
Rot. Bonds7

About (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid

(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid (PubChem CID 57205815) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
PubChem CID57205815
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
SMILESC=CC/C(N)=N\CCC(C)[C@H](N)C(=O)O
InChIInChI=1S/C10H19N3O2/c1-3-4-8(11)13-6-5-7(2)9(12)10(14)15/h3,7,9H,1,4-6,12H2,2H3,(H2,11,13)(H,14,15)/t7?,9-/m0/s1
InChIKeyUYIKRXFVYFTVRT-NETXQHHPSA-N
XLogP0.36
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid
CID 22141943
(2S)-2-amino-5-[[amino(methylsulfanyl)methylidene]amino]-3-methylpentanoic acid
CID 18656744
CID 58481212
CID 58481212
(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
2-amino-3-methyl-5-selanylpentanoic acid
CID 173165921
2-[(3R,4R)-4-amino-3-methyl-5-oxohexyl]guanidine
CID 134551000
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
(2S)-2-amino-6-(1-aminobut-3-enylideneamino)-2-ethylhexanoic acid
CID 57099750
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
2-amino-3-methyl-5-oxopentanoic acid
CID 22594684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid (CID 57205815) is (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid is C=CC/C(N)=N\CCC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
The InChIKey is UYIKRXFVYFTVRT-NETXQHHPSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-4-8(11)13-6-5-7(2)9(12)10(14)15/h3,7,9H,1,4-6,12H2,2H3,(H2,11,13)(H,14,15)/t7?,9-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid is sourced from PubChem (CID 57205815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).