CID 58915654

C16H29N3O4 — CID 58915654

IUPAC—
SMILES[CH]N(CCN([CH])CC(=O)OC(C)(C)C)CCN(CC)CC(=O)O
InChIInChI=1S/C16H29N3O4/c1-7-19(12-14(20)21)11-10-17(5)8-9-18(6)13-15(22)23-16(2,3)4/h5-6H,7-13H2,1-4H3,(H,20,21)
InChIKeyIFFZYYWPASMGLD-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.68
Rot. Bonds11

About CID 58915654

CID 58915654 (PubChem CID 58915654) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol.

Molecular Properties

Compound NameCID 58915654
PubChem CID58915654
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name—
SMILES[CH]N(CCN([CH])CC(=O)OC(C)(C)C)CCN(CC)CC(=O)O
InChIInChI=1S/C16H29N3O4/c1-7-19(12-14(20)21)11-10-17(5)8-9-18(6)13-15(22)23-16(2,3)4/h5-6H,7-13H2,1-4H3,(H,20,21)
InChIKeyIFFZYYWPASMGLD-UHFFFAOYSA-N
XLogP0.68
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[ethyl-[2-(methylamino)ethyl]amino]acetate
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methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-(diethoxyphosphorylmethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
CID 18674957
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[(1S,2S)-2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-(carboxymethyl)amino]cyclohexyl]amino]acetic acid
CID 132504331
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxypropane-1,2,3-tricarboxylic acid;tris(N,N-diethylethanamine)
CID 173169029
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
tert-butyl 4-(diethylamino)butanoate
CID 122660980
3-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-(carboxymethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 57170329
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109

Frequently Asked Questions

What is the IUPAC name of CID 58915654?
The IUPAC name of CID 58915654 (CID 58915654) is not available.
What is the SMILES notation for CID 58915654?
The canonical SMILES for CID 58915654 is [CH]N(CCN([CH])CC(=O)OC(C)(C)C)CCN(CC)CC(=O)O.
What is the InChIKey of CID 58915654?
The InChIKey is IFFZYYWPASMGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-7-19(12-14(20)21)11-10-17(5)8-9-18(6)13-15(22)23-16(2,3)4/h5-6H,7-13H2,1-4H3,(H,20,21).
What are the key properties of CID 58915654?
CID 58915654 has a molecular weight of 327.43 g/mol, XLogP of 0.68, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58915654 is sourced from PubChem (CID 58915654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).