(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid

C8H16N2O2 — CID 90976628

IUPAC(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
SMILESC/C(N)=N\CCC[C@@H](C)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-6(8(11)12)4-3-5-10-7(2)9/h6H,3-5H2,1-2H3,(H2,9,10)(H,11,12)/t6-/m1/s1
InChIKeyLAKBWMPGYBNMJK-ZCFIWIBFSA-N
MW172.23 g/mol
LogP0.86
Rot. Bonds5

About (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid

(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid (PubChem CID 90976628) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
PubChem CID90976628
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
SMILESC/C(N)=N\CCC[C@@H](C)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-6(8(11)12)4-3-5-10-7(2)9/h6H,3-5H2,1-2H3,(H2,9,10)(H,11,12)/t6-/m1/s1
InChIKeyLAKBWMPGYBNMJK-ZCFIWIBFSA-N
XLogP0.86
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
CID 155415637
2-[2-(1-aminoethylideneamino)ethyl]-3-methylbutanedioic acid
CID 118362424
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide
CID 159082319
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid?
The IUPAC name of (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid (CID 90976628) is (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid.
What is the SMILES notation for (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid?
The canonical SMILES for (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid is C/C(N)=N\CCC[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid?
The InChIKey is LAKBWMPGYBNMJK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(8(11)12)4-3-5-10-7(2)9/h6H,3-5H2,1-2H3,(H2,9,10)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid?
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid has a molecular weight of 172.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid is sourced from PubChem (CID 90976628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).