CID 174010213

C6H12BNO2 — CID 174010213

IUPAC—
SMILES[B]N(C(C)C)C(C)C(=O)O
InChIInChI=1S/C6H12BNO2/c1-4(2)8(7)5(3)6(9)10/h4-5H,1-3H3,(H,9,10)
InChIKeyRGYANBFVOYUOFQ-UHFFFAOYSA-N
MW140.98 g/mol
LogP0.25
Rot. Bonds3

About CID 174010213

CID 174010213 (PubChem CID 174010213) has the molecular formula C6H12BNO2 and a molecular weight of 140.98 g/mol.

Molecular Properties

Compound NameCID 174010213
PubChem CID174010213
Molecular FormulaC6H12BNO2
Molecular Weight140.98 g/mol
Exact Mass141.10
IUPAC Name—
SMILES[B]N(C(C)C)C(C)C(=O)O
InChIInChI=1S/C6H12BNO2/c1-4(2)8(7)5(3)6(9)10/h4-5H,1-3H3,(H,9,10)
InChIKeyRGYANBFVOYUOFQ-UHFFFAOYSA-N
XLogP0.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.98
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 139496454
calcium;bis(2-[1-carboxyethyl(hydroxy)amino]propanoic acid);vanadium
CID 11154879
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
CID 54145284
CID 54145284
(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-[bis(1-aminoethyl)amino]propanoic acid
CID 87525384
(2S)-2-[propan-2-yl(propyl)amino]propanoic acid
CID 151330879
2-(dimethylamino)propanoic acid;ethanesulfonic acid
CID 90221086
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
CID 91596847
2-methylpropanoic acid
CID 173073412
2-[acetyl(amino)amino]propanoic acid
CID 174435171

Frequently Asked Questions

What is the IUPAC name of CID 174010213?
The IUPAC name of CID 174010213 (CID 174010213) is not available.
What is the SMILES notation for CID 174010213?
The canonical SMILES for CID 174010213 is [B]N(C(C)C)C(C)C(=O)O.
What is the InChIKey of CID 174010213?
The InChIKey is RGYANBFVOYUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BNO2/c1-4(2)8(7)5(3)6(9)10/h4-5H,1-3H3,(H,9,10).
What are the key properties of CID 174010213?
CID 174010213 has a molecular weight of 140.98 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174010213 is sourced from PubChem (CID 174010213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).