CID 20736384

C11H20BN3O3 — CID 20736384

IUPAC—
SMILES[B]N(C)CC(=O)NC(C)C(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C11H20BN3O3/c1-7(13-10(17)6-14(4)12)11(18)15(5)8(2)9(3)16/h7-8H,6H2,1-5H3,(H,13,17)
InChIKeyISLABSZZFHFOFR-UHFFFAOYSA-N
MW253.11 g/mol
LogP-1.06
Rot. Bonds6

About CID 20736384

CID 20736384 (PubChem CID 20736384) has the molecular formula C11H20BN3O3 and a molecular weight of 253.11 g/mol.

Molecular Properties

Compound NameCID 20736384
PubChem CID20736384
Molecular FormulaC11H20BN3O3
Molecular Weight253.11 g/mol
Exact Mass253.16
IUPAC Name—
SMILES[B]N(C)CC(=O)NC(C)C(=O)N(C)C(C)C(C)=O
InChIInChI=1S/C11H20BN3O3/c1-7(13-10(17)6-14(4)12)11(18)15(5)8(2)9(3)16/h7-8H,6H2,1-5H3,(H,13,17)
InChIKeyISLABSZZFHFOFR-UHFFFAOYSA-N
XLogP-1.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
methyl N-methyl-N-(3-oxobutan-2-yl)carbamate
CID 59582321
methyl (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]propanoate
CID 56817538
N-(3-oxobutan-2-yl)propanamide
CID 22943760
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 14824170
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
CID 157315892
N-(1-cyclopropylethyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24688294
3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 156661280
2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 115731225

Frequently Asked Questions

What is the IUPAC name of CID 20736384?
The IUPAC name of CID 20736384 (CID 20736384) is not available.
What is the SMILES notation for CID 20736384?
The canonical SMILES for CID 20736384 is [B]N(C)CC(=O)NC(C)C(=O)N(C)C(C)C(C)=O.
What is the InChIKey of CID 20736384?
The InChIKey is ISLABSZZFHFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BN3O3/c1-7(13-10(17)6-14(4)12)11(18)15(5)8(2)9(3)16/h7-8H,6H2,1-5H3,(H,13,17).
What are the key properties of CID 20736384?
CID 20736384 has a molecular weight of 253.11 g/mol, XLogP of -1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20736384 is sourced from PubChem (CID 20736384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).