(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid

C8H18N4O2 — CID 144859243

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
SMILESCC[C@](N)(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-2-8(11,6(13)14)4-3-5-12-7(9)10/h2-5,11H2,1H3,(H,13,14)(H4,9,10,12)/t8-/m0/s1
InChIKeyYSUVGAYSLQONHL-QMMMGPOBSA-N
MW202.26 g/mol
LogP-0.77
Rot. Bonds6

About (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid

(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid (PubChem CID 144859243) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
PubChem CID144859243
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
SMILESCC[C@](N)(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C8H18N4O2/c1-2-8(11,6(13)14)4-3-5-12-7(9)10/h2-5,11H2,1H3,(H,13,14)(H4,9,10,12)/t8-/m0/s1
InChIKeyYSUVGAYSLQONHL-QMMMGPOBSA-N
XLogP-0.77
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-ethylbutanoic acid
CID 87963131
(2R)-2-amino-2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]butanoic acid
CID 134133363
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoic acid
CID 175056196
(2S)-2-amino-6-(1-aminobut-3-enylideneamino)-2-ethylhexanoic acid
CID 57099750
amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate
CID 140586428
2-amino-2-[3-(diaminomethylideneamino)propyl]-3-hydroxy-3-methylbutanedioic acid
CID 172565564
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504
(2R)-2-amino-2-[carboxymethyl(methyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 57324197
(2S)-2-amino-6-borono-2-[(diaminomethylideneamino)methyl]hexanoic acid
CID 155558229
(2R)-2-amino-6-borono-2-[(diaminomethylideneamino)methyl]hexanoic acid
CID 155537312
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-4-ethyl-3-oxooctanoic acid
CID 149437110
2-amino-5-[3-(diethylamino)propyl-ethylamino]-2-ethylpentanoic acid
CID 106806545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid (CID 144859243) is (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid is CC[C@](N)(CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid?
The InChIKey is YSUVGAYSLQONHL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-2-8(11,6(13)14)4-3-5-12-7(9)10/h2-5,11H2,1H3,(H,13,14)(H4,9,10,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid?
(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid has a molecular weight of 202.26 g/mol, XLogP of -0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid is sourced from PubChem (CID 144859243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).