CID 58289634

C14H23NO4 — CID 58289634

IUPAC—
SMILES[CH]C[C@@H]1[C@H](C)C[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-7-10-9(2)8-11(12(16)18-6)15(10)13(17)19-14(3,4)5/h1,9-11H,7-8H2,2-6H3/t9-,10-,11+/m1/s1
InChIKeyMPHNQWIMPCYKRA-MXWKQRLJSA-N
MW269.34 g/mol
LogP2.27
Rot. Bonds2

About CID 58289634

CID 58289634 (PubChem CID 58289634) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol.

Molecular Properties

Compound NameCID 58289634
PubChem CID58289634
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name—
SMILES[CH]C[C@@H]1[C@H](C)C[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO4/c1-7-10-9(2)8-11(12(16)18-6)15(10)13(17)19-14(3,4)5/h1,9-11H,7-8H2,2-6H3/t9-,10-,11+/m1/s1
InChIKeyMPHNQWIMPCYKRA-MXWKQRLJSA-N
XLogP2.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-Boc-2-azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 69804458
(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 18396216
(2S,3aS,6aS)-1-[(tert-butoxy)carbonyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 15622962
rac-(1R,3R,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 69134534
4-[(Tert-butoxy)carbonyl]-4-azaspiro[2.4]heptane-5-carboxylic acid
CID 84048938
6-((Tert-butoxy)carbonyl)-6-azaspiro(3.4)octane-7-carboxylic acid
CID 136576033
rac-(2R,4R)-1-[(tert-butoxy)carbonyl]-4-(cyclobutylmethyl)pyrrolidine-2-carboxylic acid
CID 138991349
(2S,3aS,7aS)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
CID 2755991
(2S,4R)-1-[(tert-butoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 11781161
1-((Tert-butoxy)carbonyl)-5-cyclopropylpyrrolidine-2-carboxylic acid
CID 122163451
rac-(2R,4R)-1-((tert-butoxy)carbonyl)-4-ethylpyrrolidine-2-carboxylic acid
CID 124564947
3-{1-[(Tert-butoxy)carbonyl]-5-(methoxycarbonyl)pyrrolidin-3-yl}propanoic acid
CID 137698915

Frequently Asked Questions

What is the IUPAC name of CID 58289634?
The IUPAC name of CID 58289634 (CID 58289634) is not available.
What is the SMILES notation for CID 58289634?
The canonical SMILES for CID 58289634 is [CH]C[C@@H]1[C@H](C)C[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C.
What is the InChIKey of CID 58289634?
The InChIKey is MPHNQWIMPCYKRA-MXWKQRLJSA-N. The full InChI is InChI=1S/C14H23NO4/c1-7-10-9(2)8-11(12(16)18-6)15(10)13(17)19-14(3,4)5/h1,9-11H,7-8H2,2-6H3/t9-,10-,11+/m1/s1.
What are the key properties of CID 58289634?
CID 58289634 has a molecular weight of 269.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58289634 is sourced from PubChem (CID 58289634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).