azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid

C16H35N3O5 — CID 173442043

IUPACazane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O.N.N
InChIInChI=1S/C16H29NO5.2H3N/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22;;/h2-13H2,1H3,(H,19,20)(H,21,22);2*1H3
InChIKeyBCJVLEWFUACYRR-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.23
Rot. Bonds14

About azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid

azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid (PubChem CID 173442043) has the molecular formula C16H35N3O5 and a molecular weight of 349.47 g/mol. Its IUPAC name is azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid.

Molecular Properties

Compound Nameazane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
PubChem CID173442043
Molecular FormulaC16H35N3O5
Molecular Weight349.47 g/mol
Exact Mass349.26
IUPAC Nameazane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O.N.N
InChIInChI=1S/C16H29NO5.2H3N/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22;;/h2-13H2,1H3,(H,19,20)(H,21,22);2*1H3
InChIKeyBCJVLEWFUACYRR-UHFFFAOYSA-N
XLogP3.23
TPSA164.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
N,N-di(nonyl)octanamide
CID 533141

Frequently Asked Questions

What is the IUPAC name of azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid?
The IUPAC name of azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid (CID 173442043) is azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid.
What is the SMILES notation for azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid?
The canonical SMILES for azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid is CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O.N.N.
What is the InChIKey of azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid?
The InChIKey is BCJVLEWFUACYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5.2H3N/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22;;/h2-13H2,1H3,(H,19,20)(H,21,22);2*1H3.
What are the key properties of azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid?
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid has a molecular weight of 349.47 g/mol, XLogP of 3.23, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid is sourced from PubChem (CID 173442043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).