CID 174037593

C15H26BN2O5 — CID 174037593

IUPAC—
SMILESC[B]CC1C[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C(=O)N1
InChIInChI=1S/C15H26BN2O5/c1-15(2,3)23-14(21)18-11(13(20)22-5)7-9-6-10(8-16-4)17-12(9)19/h9-11H,6-8H2,1-5H3,(H,17,19)(H,18,21)/t9-,10?,11-/m0/s1
InChIKeyNRBFOPGWBCVWKU-JRUYECLLSA-N
MW325.19 g/mol
LogP1.12
Rot. Bonds6

About CID 174037593

CID 174037593 (PubChem CID 174037593) has the molecular formula C15H26BN2O5 and a molecular weight of 325.19 g/mol.

Molecular Properties

Compound NameCID 174037593
PubChem CID174037593
Molecular FormulaC15H26BN2O5
Molecular Weight325.19 g/mol
Exact Mass325.19
IUPAC Name—
SMILESC[B]CC1C[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C(=O)N1
InChIInChI=1S/C15H26BN2O5/c1-15(2,3)23-14(21)18-11(13(20)22-5)7-9-6-10(8-16-4)17-12(9)19/h9-11H,6-8H2,1-5H3,(H,17,19)(H,18,21)/t9-,10?,11-/m0/s1
InChIKeyNRBFOPGWBCVWKU-JRUYECLLSA-N
XLogP1.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxo-4-azaspiro[2.5]octan-6-yl)propanoate
CID 166893567
methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
CID 176706795
CID 176706795
methyl 2-[[3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175458211
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
methyl (2S)-3-[(3R,4R)-4-ethenyl-2-oxopyrrolidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 172579486
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 162479406
methyl (2R)-3-[(3R,4S)-3,4-difluorocyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59201511
methyl 3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 168753686
methyl (2S)-3-[(3S)-1-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 167435574
tert-butyl N-[1-amino-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]carbamate
CID 167238360

Frequently Asked Questions

What is the IUPAC name of CID 174037593?
The IUPAC name of CID 174037593 (CID 174037593) is not available.
What is the SMILES notation for CID 174037593?
The canonical SMILES for CID 174037593 is C[B]CC1C[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C(=O)N1.
What is the InChIKey of CID 174037593?
The InChIKey is NRBFOPGWBCVWKU-JRUYECLLSA-N. The full InChI is InChI=1S/C15H26BN2O5/c1-15(2,3)23-14(21)18-11(13(20)22-5)7-9-6-10(8-16-4)17-12(9)19/h9-11H,6-8H2,1-5H3,(H,17,19)(H,18,21)/t9-,10?,11-/m0/s1.
What are the key properties of CID 174037593?
CID 174037593 has a molecular weight of 325.19 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037593 is sourced from PubChem (CID 174037593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).