(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide

C9H16BrNO2 — CID 94882952

IUPAC(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@@H](Br)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C9H16BrNO2/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyUMQRPDKJZPACFQ-HTQZYQBOSA-N
MW250.14 g/mol
LogP1.46
Rot. Bonds4

About (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide

(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 94882952) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID94882952
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@@H](Br)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C9H16BrNO2/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyUMQRPDKJZPACFQ-HTQZYQBOSA-N
XLogP1.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
2-bromo-N-(oxolan-2-ylmethyl)hexanamide
CID 110839202
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
CID 112991314
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 94882952) is (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide is CC[C@@H](Br)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is UMQRPDKJZPACFQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16BrNO2/c1-2-8(10)9(12)11-6-7-4-3-5-13-7/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 250.14 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 94882952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).