CID 87823358

C14H28BN2O2 — CID 87823358

IUPAC—
SMILESCC(C)CC(C)C(=O)N[B]NC(=O)C(C)CC(C)C
InChIInChI=1S/C14H28BN2O2/c1-9(2)7-11(5)13(18)16-15-17-14(19)12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyYOBIJIJQTRYFHW-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.12
Rot. Bonds8

About CID 87823358

CID 87823358 (PubChem CID 87823358) has the molecular formula C14H28BN2O2 and a molecular weight of 267.20 g/mol.

Molecular Properties

Compound NameCID 87823358
PubChem CID87823358
Molecular FormulaC14H28BN2O2
Molecular Weight267.20 g/mol
Exact Mass267.22
IUPAC Name—
SMILESCC(C)CC(C)C(=O)N[B]NC(=O)C(C)CC(C)C
InChIInChI=1S/C14H28BN2O2/c1-9(2)7-11(5)13(18)16-15-17-14(19)12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyYOBIJIJQTRYFHW-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198
N-hydroxy-2-(iodoamino)-4-methylpentanamide
CID 88849243
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylpentanamide
CID 163254959
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
(2S)-4-methyl-2-(methylsulfanylamino)pentanoic acid
CID 142463410
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
(2S)-4-methyl-2-(2-methylsulfanylpropanoylamino)pentanoic acid
CID 119361586

Frequently Asked Questions

What is the IUPAC name of CID 87823358?
The IUPAC name of CID 87823358 (CID 87823358) is not available.
What is the SMILES notation for CID 87823358?
The canonical SMILES for CID 87823358 is CC(C)CC(C)C(=O)N[B]NC(=O)C(C)CC(C)C.
What is the InChIKey of CID 87823358?
The InChIKey is YOBIJIJQTRYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BN2O2/c1-9(2)7-11(5)13(18)16-15-17-14(19)12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,19).
What are the key properties of CID 87823358?
CID 87823358 has a molecular weight of 267.20 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87823358 is sourced from PubChem (CID 87823358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).