CID 123183364

C15H20BN3O4 — CID 123183364

IUPAC—
SMILES[B]NC(=O)c1ccccc1NC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20BN3O4/c1-9(17-14(22)23-15(2,3)4)12(20)18-11-8-6-5-7-10(11)13(21)19-16/h5-9H,1-4H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyHNUXWAIDCJKMKN-UHFFFAOYSA-N
MW317.15 g/mol
LogP1.35
Rot. Bonds4

About CID 123183364

CID 123183364 (PubChem CID 123183364) has the molecular formula C15H20BN3O4 and a molecular weight of 317.15 g/mol.

Molecular Properties

Compound NameCID 123183364
PubChem CID123183364
Molecular FormulaC15H20BN3O4
Molecular Weight317.15 g/mol
Exact Mass317.15
IUPAC Name—
SMILES[B]NC(=O)c1ccccc1NC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20BN3O4/c1-9(17-14(22)23-15(2,3)4)12(20)18-11-8-6-5-7-10(11)13(21)19-16/h5-9H,1-4H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyHNUXWAIDCJKMKN-UHFFFAOYSA-N
XLogP1.35
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-[hydroxy-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[hydroxy-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]benzoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]propanoic acid
CID 102020538
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
tert-butyl N-[(2S)-1-[2-(4-amino-4-oxobutyl)anilino]-1-oxopropan-2-yl]carbamate
CID 57223733
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoate
CID 110428354
tert-butyl N-[1-(2-anilino-3-bromoanilino)-1-oxopropan-2-yl]carbamate
CID 77456294
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 67042611
tert-butyl N-[(2R)-1-(2-methyl-3-nitroanilino)-1-oxopropan-2-yl]carbamate
CID 94097115
tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 167063153
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoic acid
CID 123748568
tert-butyl N-[(2R)-1-[4-[4-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]phenyl]anilino]-1-oxopropan-2-yl]carbamate
CID 163359763
tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 119050634
tert-butyl N-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]carbamate
CID 51938329

Frequently Asked Questions

What is the IUPAC name of CID 123183364?
The IUPAC name of CID 123183364 (CID 123183364) is not available.
What is the SMILES notation for CID 123183364?
The canonical SMILES for CID 123183364 is [B]NC(=O)c1ccccc1NC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of CID 123183364?
The InChIKey is HNUXWAIDCJKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BN3O4/c1-9(17-14(22)23-15(2,3)4)12(20)18-11-8-6-5-7-10(11)13(21)19-16/h5-9H,1-4H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of CID 123183364?
CID 123183364 has a molecular weight of 317.15 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123183364 is sourced from PubChem (CID 123183364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).