(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid

C12H24N4O2 — CID 123257108

IUPAC(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NC(CC[C@H](N)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H24N4O2/c13-9(11(17)18)6-7-10(16-12(14)15)8-4-2-1-3-5-8/h8-10H,1-7,13H2,(H,17,18)(H4,14,15,16)/t9-,10?/m0/s1
InChIKeyOOPSRCSDUHASEU-RGURZIINSA-N
MW256.35 g/mol
LogP0.40
Rot. Bonds6

About (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 123257108) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid
PubChem CID123257108
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NC(CC[C@H](N)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H24N4O2/c13-9(11(17)18)6-7-10(16-12(14)15)8-4-2-1-3-5-8/h8-10H,1-7,13H2,(H,17,18)(H4,14,15,16)/t9-,10?/m0/s1
InChIKeyOOPSRCSDUHASEU-RGURZIINSA-N
XLogP0.40
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-5-hydroxypentanoic acid
CID 71448989
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-(diaminomethylideneamino)heptanoic acid
CID 87665653
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
2-amino-4-cyclohexylhexanoic acid
CID 19433409
2-amino-6-cyclohexyl-7-phosphonoheptanoic acid
CID 67928459
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 174735691
2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
CID 63055281
(2S,5S)-2-amino-5-(diaminomethylideneamino)hexanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 23657389
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid (CID 123257108) is (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NC(CC[C@H](N)C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is OOPSRCSDUHASEU-RGURZIINSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-9(11(17)18)6-7-10(16-12(14)15)8-4-2-1-3-5-8/h8-10H,1-7,13H2,(H,17,18)(H4,14,15,16)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-amino-5-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.40, 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-cyclohexyl-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 123257108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).