(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride

C16H36ClN3O2 — CID 87200728

IUPAC(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
SMILESCCCCCCCCCCCC[C@](N)(C(=O)O)N(N)CC.Cl
InChIInChI=1S/C16H35N3O2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-16(17,15(20)21)19(18)4-2;/h3-14,17-18H2,1-2H3,(H,20,21);1H/t16-;/m1./s1
InChIKeyFAKMGZJFGQCWBV-PKLMIRHRSA-N
MW337.94 g/mol
LogP3.65
Rot. Bonds14

About (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride

(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride (PubChem CID 87200728) has the molecular formula C16H36ClN3O2 and a molecular weight of 337.94 g/mol. Its IUPAC name is (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
PubChem CID87200728
Molecular FormulaC16H36ClN3O2
Molecular Weight337.94 g/mol
Exact Mass337.25
IUPAC Name(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
SMILESCCCCCCCCCCCC[C@](N)(C(=O)O)N(N)CC.Cl
InChIInChI=1S/C16H35N3O2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-16(17,15(20)21)19(18)4-2;/h3-14,17-18H2,1-2H3,(H,20,21);1H/t16-;/m1./s1
InChIKeyFAKMGZJFGQCWBV-PKLMIRHRSA-N
XLogP3.65
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.94
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87233071
2-amino-2-octadecylicosanoic acid
CID 18935913
2-amino-2-[ethyl(2-hydroxyethyl)amino]heptanoic acid
CID 174821271
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
2-amino-2-[bis(carboxymethyl)amino]hexanoic acid
CID 18668446
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
octadecane-1,1,1-tricarboxylic acid
CID 57231234
triacontane-1,1,1-tricarboxylic acid
CID 141175641

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride (CID 87200728) is (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride is CCCCCCCCCCCC[C@](N)(C(=O)O)N(N)CC.Cl.
What is the InChIKey of (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride?
The InChIKey is FAKMGZJFGQCWBV-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H35N3O2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-16(17,15(20)21)19(18)4-2;/h3-14,17-18H2,1-2H3,(H,20,21);1H/t16-;/m1./s1.
What are the key properties of (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride?
(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride has a molecular weight of 337.94 g/mol, XLogP of 3.65, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride is sourced from PubChem (CID 87200728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).