2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid

C14H29N3O2 — CID 154955000

IUPAC2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid
SMILESCCCCCCC(C)/C(N)=N/CCCC(N)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-3-4-5-6-8-11(2)13(16)17-10-7-9-12(15)14(18)19/h11-12H,3-10,15H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyWIHMXMBIXTZECZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.14
Rot. Bonds11

About 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid

2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid (PubChem CID 154955000) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid
PubChem CID154955000
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid
SMILESCCCCCCC(C)/C(N)=N/CCCC(N)C(=O)O
InChIInChI=1S/C14H29N3O2/c1-3-4-5-6-8-11(2)13(16)17-10-7-9-12(15)14(18)19/h11-12H,3-10,15H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyWIHMXMBIXTZECZ-UHFFFAOYSA-N
XLogP2.14
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
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-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;dodecyl dihydrogen phosphate
CID 87477767

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid?
The IUPAC name of 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid (CID 154955000) is 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid is CCCCCCC(C)/C(N)=N/CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid?
The InChIKey is WIHMXMBIXTZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-4-5-6-8-11(2)13(16)17-10-7-9-12(15)14(18)19/h11-12H,3-10,15H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid?
2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.14, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-amino-2-methyloctylidene)amino]pentanoic acid is sourced from PubChem (CID 154955000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).